542	474	542	0:SP2_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	3:4:1:1:	4:4:3:	C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:	N[5](C[5]C[5]HH)(C[5]N[5]H)(N[5]C[5]2)	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[5]CH)2(N[5]C[5]2)	N[5](C[5]C[5]HH)(C[5]N[5]H)(N[5]C[5]2){1|N<3>,4|C<4>,4|H<1>}	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	N[5](C[5]C[5]CH)2(N[5]C[5]2){1|C<4>,1|N<3>,7|H<1>}	120.2360	0.337	2	120.2360	0.113	2	123.0497	4.936	6	123.0497	4.936	6	122.0950	11.136	8	122.0950	11.136	8
542	474	542	0:SP2_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	3:4:1:1:	4:4:3:	C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-3:	N[5](C[5]C[5]HH)(C[5]N[5]Rh)(N[5]C[5]2)	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[5]CH)2(N[5]C[5]2)	N[5](C[5]C[5]HH)(C[5]N[5]Rh)(N[5]C[5]2){1|N<3>,4|C<4>,4|H<1>}	C[5](N[5]C[5]N[5])(C[5]N[5]HH)(H)2{1|Rh<6>,1|N<3>,2|C<4>}	N[5](C[5]C[5]CH)2(N[5]C[5]2){1|Rh<6>,1|C<4>,1|N<3>,6|H<1>}	124.4565	0.522	4	124.4565	0.273	4	123.0497	4.936	6	123.0497	4.936	6	122.0950	11.136	8	122.0950	11.136	8
542	474	542	0:SP2_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:3:1:	4:4:3:	C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Rh)(N[5]C[5]2)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Rh)(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]N[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(N[5]C[5]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.2310	5.603	2	119.2310	31.395	2	119.2310	31.395	2	119.2310	31.395	2	122.0950	11.136	8	122.0950	11.136	8
542	474	542	0:SP3_SP2_SP3	N[5,5]	C[5,5]	N[5]	4:4:3:	3:3:4:3:	3:3:1:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-3:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	113.5970	0.000	1	113.5970	0.000	1	113.5970	0.000	1	113.5970	0.000	1	112.1573	1.819	4	114.2089	3.109	26
542	474	542	0:SP3_SP2_SP3	N[5,5]	C[5,5]	N[5]	4:4:3:	3:4:3:3:	3:3:1:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(N[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]N[5]O)	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(N[5]C[5]H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	111.0095	0.131	2	111.0095	0.017	2	111.6773	1.347	3	111.6773	1.347	3	112.1573	1.819	4	114.2089	3.109	26
542	474	542	0:SP3_SP2_SP3	N[5,5]	C[5,5]	N[5]	4:4:3:	3:4:3:3:	3:3:1:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-3:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(N[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]N[5])(C[5]N[5]O)	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(N[5]C[5]H){1|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	113.0130	0.000	1	113.0130	0.000	1	111.6773	1.347	3	111.6773	1.347	3	112.1573	1.819	4	114.2089	3.109	26
542	474	542	0:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:4:3:	3:3:3:3:	3:3:4:	C[5]-4:C[5]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[5]-3:N-3:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(NC[6a]C)	N[5](C[5]C[5]O)(N[5]C[5]2)(CC[6a]HH)	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(NC[6a]C){3|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5]O)(N[5]C[5]2)(CC[6a]HH){1|N<3>,2|C<3>,4|H<1>}	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	114.5819	2.493	22	114.2089	3.109	26
542	474	542	0:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:4:3:	3:3:3:4:	3:3:1:	C[5]-4:C[5]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(N[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF)	N[5](C[5]C[5]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5]C[5]O)(N[5]C[5]2)(H){1|C<4>,2|C<3>,4|H<1>}	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	110.3870	0.000	1	114.5819	2.493	22	114.2089	3.109	26
542	474	542	0:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-3:C[5]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)2(N[5]C[5]2)	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(N[5]C[5]2){1|Rh<6>,1|N<2>,1|N<3>,4|C<3>,5|H<1>}	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	N[5](C[5]N[5]Rh)(C[5]N[5]H)(N[5]C[5]2){2|C<3>,2|H<1>,3|C<4>}	114.5845	2.399	4	114.5845	5.755	4	114.5845	5.755	4	114.5845	5.755	4	114.5819	2.493	22	114.2089	3.109	26
542	474	542	0:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:4:3:	3:4:1:1:	4:3:3:	C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(N[5]C[5]2)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Rh)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(N[5]C[5]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Rh)(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	115.1330	1.423	2	115.1330	2.024	2	115.1330	2.024	2	115.1330	2.024	2	114.5819	2.493	22	114.2089	3.109	26
542	474	542	0:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:4:3:	3:4:4:1:	4:3:3:	C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(N[5]C[5]2)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Rh)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(N[5]C[5]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Rh)(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	114.9865	0.400	2	114.9865	0.160	2	114.8634	1.002	14	114.8634	1.002	14	114.5819	2.493	22	114.2089	3.109	26
542	474	542	0:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:4:3:	3:4:4:1:	4:3:3:	C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)2(N[5]C[5]2)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]H)(N[5]C[5]2)	N[5](C[5]C[5]CH)2(N[5]C[5]2){1|C<4>,1|N<3>,7|H<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]H)(N[5]C[5]2){1|N<3>,4|C<4>,4|H<1>}	114.5258	0.409	4	114.5258	0.167	4	114.8634	1.002	14	114.8634	1.002	14	114.5819	2.493	22	114.2089	3.109	26
542	474	542	0:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:4:3:	3:4:4:1:	4:3:3:	C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5]CH)2(N[5]C[5]2)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Rh)(N[5]C[5]2)	N[5](C[5]C[5]CH)2(N[5]C[5]2){1|Rh<6>,1|C<4>,1|N<3>,6|H<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[5]N[5]Rh)(N[5]C[5]2){1|N<3>,4|C<4>,4|H<1>}	115.0015	1.294	8	115.0015	1.674	8	114.8634	1.002	14	114.8634	1.002	14	114.5819	2.493	22	114.2089	3.109	26
542	474	542	0:SP3_SP3_SP3	N[5,5]	C[5]	N[5]	4:4:3:	4:3:4:1:	3:4:1:	C[5,5]-4:C[5]-4:N[5]-3:	C[5,5]-4:N[5,5]-3:C-4:H-1:	N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(N[5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H)	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(N[5]C[5]H){2|C<3>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H){1|O<2>,3|C<4>,3|H<1>}	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H){1|C<3>,3|C<4>,3|H<1>}	111.6810	0.000	1	111.6810	0.000	1	111.6810	0.000	1	111.6810	0.000	1	111.6810	0.000	1	111.6810	0.000	1
542	474	542	5:SP2_SP2_SP3	N[5,5]	C[5]	N[5,5]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-4:	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(H)2	N[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]Pd)(C[5]C[5]HH)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	N[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]Pd)(C[5]C[5]HH){2|C<3>,4|H<1>}	112.2780	0.225	2	112.2780	0.051	2	112.2780	0.051	2	111.2043	1.784	4	110.9608	1.294	17	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5,5]	C[5]	N[5,5]	3:3:4:	3:4:1:1:	3:3:4:	N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]Pd)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)	N[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]Pd)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|Pd<4>,2|C<3>,2|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,2|C<3>,5|H<1>}	110.1305	0.831	2	110.1305	0.690	2	110.1305	0.690	2	111.2043	1.784	4	110.9608	1.294	17	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5,5]	C[5]	N[5,5]	3:4:3:	3:2:1:1:	4:3:3:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:O[5]-2:H-1:H-1:	B[5]-4:N[5,5]-3:C[5]-3:	N[5,5](N[5,5]B[5]C[5])(C[5]O[5]HH)(C[5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(H)2	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C)	N[5,5](N[5,5]B[5]C[5])(C[5]O[5]HH)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(H)2{1|C<4>,4|C<3>}	N[5,5](B[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	110.9460	0.000	1	110.9460	0.000	1	110.9460	0.000	1	110.9460	0.000	1	110.9608	1.294	17	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5,5]	C[5]	N[5,5]	3:4:3:	3:3:1:1:	3:3:2:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:N[5]-2:	N[5,5](N[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]N[5])(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(N[5]C[5])	N[5,5](N[5,5]C[5]N[5])(C[5]C[5]HH)(C[5]C[5]C){1|Au<2>,1|C<3>,1|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]N[5])(H)2{1|C<4>,4|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(N[5]C[5]){1|Au<2>,1|C<3>,1|C<4>,2|H<1>}	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	110.9608	1.294	17	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5,5]	C[5]	N[5,5]	3:4:3:	3:3:3:3:	3:2:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[6a]-3:C[5]-3:	N[5,5]-3:N[5]-2:C[5]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(N[5,5]C[5]N[5])	C[5](N[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2)2(C[5]C[5]H)	N[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a])(C[5]C[5]Re)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(N[5,5]C[5]N[5]){1|Re<6>,2|H<1>,6|C<3>}	C[5](N[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2)2(C[5]C[5]H){1|Re<6>,1|N<2>,4|H<1>,6|C<3>}	N[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a])(C[5]C[5]Re){1|H<1>,4|C<3>}	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	110.9608	1.294	17	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5,5]	C[5]	N[5,5]	3:4:3:	3:4:1:1:	3:4:3:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HS)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H){1|S<2>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HS)(H)2{1|C<3>,1|N<2>,3|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]H){1|S<2>,4|H<1>}	112.1343	0.302	4	112.1343	0.091	4	112.1343	0.091	4	112.1343	0.091	4	110.9608	1.294	17	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5,5]	C[5]	N[5,5]	3:4:3:	3:4:4:1:	3:4:3:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<4>,2|O<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|O<1>,5|H<1>}	110.8160	0.426	2	110.8160	0.181	2	110.8160	0.181	2	110.8160	0.181	2	110.9608	1.294	17	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5,5]	C[5]	N[5,5]	3:4:3:	3:4:4:4:	3:4:3:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|O<1>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2{2|C<4>,2|O<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){1|O<1>,2|C<4>,4|H<1>}	110.4630	0.297	2	110.4630	0.088	2	110.4630	0.088	2	110.4630	0.088	2	110.9608	1.294	17	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5,5]	C[5]	N[5,5]	3:4:3:	3:4:4:4:	4:3:3:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|O<1>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2{2|C<4>,2|O<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	111.0390	0.000	1	111.0390	0.000	1	111.0390	0.000	1	111.0390	0.000	1	110.9608	1.294	17	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:3:	3:3:4:1:	3:4:3:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|O<1>,5|H<1>}	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	110.9608	1.294	17	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5,6]	C[5,6,6]	N[5]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6,6]-4:B[6]-3:N[5]-3:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	N[5,6]-3:B[5]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]C)(B[6]C[6,6a]C[5])(N[5]B[5]H)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	N[5](N[5,6]C[5,6,6]B[6])(B[5]C[5,6]C[6a])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]C)(B[6]C[6,6a]C[5])(N[5]B[5]H){1|H<1>,2|N<3>,5|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){1|H<1>,2|C<4>,5|C<3>}	N[5](N[5,6]C[5,6,6]B[6])(B[5]C[5,6]C[6a])(H){1|C<4>,1|H<1>,6|C<3>}	107.6300	0.000	1	107.6300	0.000	1	107.9790	0.244	2	107.9790	0.244	2	107.9790	0.244	2	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5,6]	C[5,6,6]	N[5]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6,6]-4:B[6]-3:N[5]-3:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	N[5,6]-3:B[5]-3:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]C)(B[6]C[6,6a]O)(N[5]B[5]H)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	N[5](N[5,6]C[5,6,6]B[6])(B[5]C[5,6]C[6a])(H)	N[5,6](C[5,6,6]C[5,6]C[6,6]C)(B[6]C[6,6a]O)(N[5]B[5]H){1|H<1>,5|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5](N[5,6]C[5,6,6]B[6])(B[5]C[5,6]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	108.3280	0.000	1	108.3280	0.000	1	107.9790	0.244	2	107.9790	0.244	2	107.9790	0.244	2	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5,6]	C[5,6]	N[5]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,6a]-3:N[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CC[6a]O)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C){2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CC[6a]O){2|H<1>,5|C<3>}	103.7880	0.000	1	103.7880	0.000	1	103.7880	0.000	1	103.7880	0.000	1	104.2403	0.602	4	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5,6]	C[5,6]	N[5]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C){4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){3|C<3>,3|H<1>}	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O){2|H<1>,4|C<3>}	103.8855	0.036	2	103.8855	0.001	2	103.8855	0.001	2	103.8855	0.001	2	104.2403	0.602	4	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5,6]	C[5,6]	N[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5,6]-4:N[5]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[6a]-3:N[5]-3:	N[5,6](C[5,6]C[6,6a]N[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H)	N[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]N[5]C)	N[5,6](C[5,6]C[6,6a]N[5]H)(N[5]C[6a]N[5])(C[6]C[6]H){1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H){2|H<1>,5|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]N[5]C){4|H<1>,5|C<3>}	105.4020	0.000	1	105.4020	0.000	1	105.4020	0.000	1	105.4020	0.000	1	104.2403	0.602	4	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5,5,6]	N[5]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:N[5]-3:C-3:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[6a]C[5])(CC[3]O)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]N[5]C)(H)	N[5](C[5]C[3x5,6]O)(N[5]C[5,5,6]C)(C[6a]C[6a]2)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[6a]C[5])(CC[3]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]N[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[5]C[3x5,6]O)(N[5]C[5,5,6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:3:3:	4:4:3:1:	4:3:3:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)	C[5,5](C[5,5]N[5,5a]C[5]H)(C[5]N[5,5a]CH)(N[5]N[5]C)(H)	N[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(COO)	N[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5,5](C[5,5]N[5,5a]C[5]H)(C[5]N[5,5a]CH)(N[5]N[5]C)(H){1|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(COO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	112.3730	0.000	1	112.3730	0.000	1	112.3730	0.000	1	112.3730	0.000	1	111.6415	1.070	2	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5,5]	N[5]	4:3:3:	4:4:3:3:	4:3:3:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(CNS)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]N[5]C)(COO)	N[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO)	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(CNS){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]N[5]C)(COO){2|C<3>,5|H<1>}	N[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO){1|C<3>,1|H<1>,2|C<4>}	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	111.6415	1.070	2	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5,6]	N[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5,6]-4:N[5]-3:C-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6]C[6,6a]N[5,6]H)(N[5]N[5]C)(COO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H)	N[5](N[5]N[5,6]C[6a])(N[5]C[5,6]C)(COO)	N[5](C[5,6]C[6,6a]N[5,6]H)(N[5]N[5]C)(COO){4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H){2|H<1>,5|C<3>}	N[5](N[5]N[5,6]C[6a])(N[5]C[5,6]C)(COO){1|H<1>,4|C<3>}	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	108.5025	2.750	2	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5,6]	N[5]	4:3:3:	3:4:3:3:	3:2:3:	C[5,6]-4:N[5]-3:C-3:	C[6]-3:C[6]-4:C[5]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6]C[5]C[6]2)(N[5]S[5]C)(COO)	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)(N[5]N[5]C)	N[5](N[5]C[5,6]C)(S[5]C[5])(COO)	N[5](C[5,6]C[5]C[6]2)(N[5]S[5]C)(COO){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](N[5]C[5,6]C)(S[5]C[5])(COO){1|C<3>,1|C<4>,1|N<2>}	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	108.5025	2.750	2	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5,6]	3:4:3:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O){2|H<1>,4|C<3>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C){4|C<3>,5|H<1>}	107.3720	0.345	2	107.3720	0.119	2	107.3720	0.119	2	107.3720	0.119	2	107.3720	0.119	2	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	3:2:4:3:	3:3:3:	C[5]-4:N[5]-3:C-3:	N[5]-3:N[5]-2:C-4:C-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5]N[5]CC)(N[5]C[5]C)(COO)	C[5](N[5]N[5]C)(N[5]C[5])(CCCH)(COO)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)	N[5](C[5]N[5]CC)(N[5]C[5]C)(COO){1|C<3>}	C[5](N[5]N[5]C)(N[5]C[5])(CCCH)(COO){2|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO){1|C<4>,3|C<3>}	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	3:3:2:3:	3:3:3:	C[5]-4:N[5]-3:C-3:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	N[5](C[5]N[5]H)(N[5]C[5]C)(COO)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO){1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){3|C<3>,3|H<1>}	N[5](C[5]N[5]H)(N[5]C[5]C)(COO){2|C<3>}	105.7240	0.000	1	105.7240	0.000	1	106.5145	1.250	2	106.5145	1.250	2	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	3:3:2:3:	3:3:3:	C[5]-4:N[5]-3:C-3:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	N[5](C[5]N[5]S)(N[5]C[5]C)(COO)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO){1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	N[5](C[5]N[5]S)(N[5]C[5]C)(COO){2|C<3>}	107.3050	0.000	1	107.3050	0.000	1	106.5145	1.250	2	106.5145	1.250	2	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	3:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[6a]N[5])(N[5]C[5]C)(COO)	N[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO){5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)(H){2|H<1>,7|C<3>}	N[5](C[5]C[5a]C[6a]N[5])(N[5]C[5]C)(COO){1|H<1>,1|O<2>,5|C<3>}	104.9970	0.000	1	104.9970	0.000	1	104.9970	0.000	1	104.9970	0.000	1	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	3:3:3:3:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5a]-3:N[5]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5a]C[6a]N[5])(N[5]C[5]C)(COO)	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)	N[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO)	N[5](C[5]C[5a]C[6a]N[5])(N[5]C[5]C)(COO){1|H<1>,1|O<2>,5|C<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C){4|H<1>,8|C<3>}	N[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO){5|C<3>}	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){3|C<3>,3|H<1>}	104.9110	1.242	2	104.9110	1.542	2	104.9110	1.542	2	104.9110	1.542	2	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]H)(CCC)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CCC){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(H){4|H<1>}	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){4|H<1>}	107.0370	0.000	1	107.0370	0.000	1	109.0153	2.569	4	109.0153	2.569	4	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	C[5](C[5]C[5]CH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){1|C<4>,3|H<1>}	110.8570	0.000	1	110.8570	0.000	1	109.0153	2.569	4	109.0153	2.569	4	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O){4|H<1>}	109.5260	0.000	1	109.5260	0.000	1	109.0153	2.569	4	109.0153	2.569	4	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	C[5](C[5]C[5]HO)(N[5]N[5]C)(H)2	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]N[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){1|O<2>,3|H<1>}	108.6410	0.000	1	108.6410	0.000	1	109.0153	2.569	4	109.0153	2.569	4	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:3:1:	3:3:1:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCO)	C[5](C[5]C[5]HH)(N[5]N[5]C)(COO)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCO){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(COO)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(H){1|C<3>,3|H<1>}	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:	N[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(COO)	C[5](C[5,5]N[5,5a]C[5,5]H)(C[5]C[5]2)(N[5]N[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)	N[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(COO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5,5]N[5,5a]C[5,5]H)(C[5]C[5]2)(N[5]N[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	104.0700	0.000	1	104.0700	0.000	1	104.0700	0.000	1	105.6247	1.879	3	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:N[5]-3:C-3:	N[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5]C)(COO)(H)	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(CNS)	N[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]N[5]C)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(CNS){1|C<3>,2|C<4>,4|H<1>}	106.1440	0.000	1	106.1440	0.000	1	106.1440	0.000	1	105.6247	1.879	3	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]C)(H)	N[5](C[5]C[5]CC)(N[5]C[5]C)(COO)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC[6a]C)(H){3|C<3>}	N[5](C[5]C[5]CC)(N[5]C[5]C)(COO){1|C<3>,3|H<1>}	106.6600	0.000	1	106.6600	0.000	1	106.6600	0.000	1	105.6247	1.879	3	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:3:3:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]CC)(N[5]C[5]C)(COO)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCO)(COO)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	N[5](C[5]C[5]CC)(N[5]C[5]C)(COO){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCO)(COO){1|H<1>,2|C<3>}	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){2|C<3>,2|H<1>}	111.0710	0.000	1	111.0710	0.000	1	111.0710	0.000	1	111.0710	0.000	1	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:4:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	C[5](C[5]C[5]CH)(N[5]N[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]N[5]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){2|C<4>,2|H<1>}	107.1690	0.000	1	107.1690	0.000	1	107.7865	0.763	2	107.7865	0.763	2	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:4:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	C[5](C[5]C[5]HO)(N[5]N[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]N[5]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){1|C<4>,1|O<2>,2|H<1>}	108.4040	0.000	1	108.4040	0.000	1	107.7865	0.763	2	107.7865	0.763	2	107.5119	4.396	19	108.6648	6.714	49
542	474	542	5:SP2_SP3_SP3	N[5,5]	C[5,5]	N[5,5]	3:4:3:	4:3:3:1:	4:4:3:	N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5,5]-4:C[5,5,6]-4:N[5,5]-3:	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]O)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[5]N[5]O)(H)	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]C[5])	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[5]N[5]O)(H){2|C<4>,2|O<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]C[5]){1|O<1>,3|C<4>,4|H<1>,6|C<3>}	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	108.1175	0.151	2	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5,5]	C[5,5]	N[5,5]	4:3:3:	3:4:4:1:	4:3:4:	C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5,5]HH)(H)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,2|C<3>,8|H<1>}	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5,5]HH)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	108.1175	0.151	2	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5,5]	C[5,5]	N[5]	4:3:3:	4:3:3:2:	4:3:1:	C[5,5]-4:N[5]-3:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:N[5,5]-3:H-1:	N[5,5](C[5,5]C[5,5]C[5]O)(N[5]C[5,5]H)(C[5]N[5]S)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]N[5])(C[5]N[5]O)(OC)	N[5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,5]C[5])(H)	N[5,5](C[5,5]C[5,5]C[5]O)(N[5]C[5,5]H)(C[5]N[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]N[5])(C[5]N[5]O)(OC){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,1|S<1>,2|C<4>,3|H<1>}	111.1690	0.209	2	111.1690	0.044	2	111.1690	0.044	2	111.1690	0.044	2	111.1690	0.044	2	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5,5]	C[5]	N[5,5]	3:4:3:	3:4:1:1:	4:3:4:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC)	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC){1|O<1>,3|C<3>,5|H<1>}	107.1540	0.887	2	107.1540	0.786	2	107.1540	0.786	2	107.1540	0.786	2	110.2292	4.447	13	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5,5]	C[5]	N[5,5]	3:4:3:	3:4:4:1:	4:3:4:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(CCHH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	112.5695	0.074	2	112.5695	0.006	2	112.5695	0.006	2	112.5695	0.006	2	110.2292	4.447	13	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5,5]	C[5]	N[5,5]	3:4:3:	3:4:4:4:	3:4:4:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5]-3:C[5]-4:C[5]-4:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<4>,7|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3){1|H<1>,1|O<1>,3|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|C<4>,4|H<1>}	111.6920	0.000	1	111.6920	0.000	1	111.6920	0.000	1	111.6920	0.000	1	110.2292	4.447	13	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5,5]	C[5]	N[5,5]	3:4:3:	3:4:4:4:	4:3:4:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<3>,7|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	110.2292	4.447	13	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:3:	3:3:4:4:	4:3:4:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,7|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	111.5540	0.000	1	111.5540	0.000	1	111.5540	0.000	1	111.5540	0.000	1	110.2292	4.447	13	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:3:	3:4:3:1:	4:3:4:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]O){5|C<3>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,3|O<1>,5|C<3>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	109.5197	1.506	4	109.5197	2.268	4	109.5197	2.268	4	109.5197	2.268	4	110.2292	4.447	13	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:3:	3:4:4:1:	4:3:4:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5,5]-4:C-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(CCHH)(H)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>,3|O<1>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	108.4000	0.000	1	108.4000	0.000	1	108.4000	0.000	1	108.4000	0.000	1	110.2292	4.447	13	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:3:	4:3:3:1:	4:3:4:	C[5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(CC[6a]O)(H)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,3|C<3>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	112.6240	0.000	1	112.6240	0.000	1	112.6240	0.000	1	112.6240	0.000	1	110.2292	4.447	13	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5,6]	C[5,5]	N[5,6]	3:4:3:	3:3:3:4:	4:3:4:	N[5,6]-3:C[5,5]-4:C[6]-3:	N[5,6]-3:C[5]-3:C[5]-3:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:	N[5,6](N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(C[6]N[6]S)	C[5,5](N[5,6]N[5,6]C[6])(C[5]C[5,6a]O)2(C[5]C[5]HH)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,5]C[6])(C[5]C[5]CH)	N[5,6](N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(C[6]N[6]S){1|C<4>,2|O<1>,4|H<1>,5|C<3>}	C[5,5](N[5,6]N[5,6]C[6])(C[5]C[5,6a]O)2(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,5]C[6])(C[5]C[5]CH){1|O<1>,1|S<1>,2|H<1>,2|N<3>,6|C<3>}	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5,6]	C[5,6]	N[5]	4:3:3:	3:3:4:1:	3:4:4:	C[5,6]-4:C[6]-3:N[5]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:S-4:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(SC[6a]OO)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H){1|N<2>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	106.6020	0.000	1	106.6020	0.000	1	106.6020	0.000	1	106.6020	0.000	1	107.7510	2.640	2	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5,6]	C[5,6]	N[5]	4:3:3:	3:4:3:1:	4:3:4:	C[5,6]-4:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:N[5,6]-3:S-4:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]S)(C[6]N[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H)	N[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(SC[6a]OO)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]S)(C[6]N[6]H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H){1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|O<2>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(SC[6a]OO){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	107.7510	2.640	2	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5,5]	N[5,6]	3:4:3:	4:3:3:1:	3:4:3:	N[5,6]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:	N[5](N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]N[5,6]C)(C[5]N[5]O)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(N[5]C[5,5]C)	N[5](N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]N[5,6]C)(C[5]N[5]O)(H){1|H<1>,1|O<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(N[5]C[5,5]C){4|H<1>,5|C<3>}	109.9340	0.000	1	109.9340	0.000	1	109.9340	0.000	1	109.9340	0.000	1	109.9340	0.000	1	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5,5]	N[5]	4:3:3:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]C)(CC[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(CH3)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]C)(CC[6a]2){6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(CH3){1|H<1>,4|C<3>}	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	110.3610	0.000	1	107.2260	20.683	3	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5,5]	N[5]	4:3:3:	3:3:3:4:	3:4:2:	C[5,5]-4:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C[5]-4:	N[5]-3:C[5]-4:C-2:	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC)	N[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CN)	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cl<1>,4|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC){1|C<2>,4|H<1>,6|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CN){1|Cl<1>,5|C<3>}	109.3070	0.000	1	109.3070	0.000	1	109.3070	0.000	1	109.3070	0.000	1	107.2260	20.683	3	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5,5]	N[5]	4:3:3:	3:3:4:3:	4:3:2:	C[5,5]-4:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6]-4:N[5]-3:	C[5,5,6]-4:N[5]-3:C-2:	N[5](C[5,5]C[5,5,6]C[5,6a]2)(N[5]C[5,5,6]C)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,5,6]2H)(N[5]C[6a]N[5])	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5,5]C[6a])(CN)	N[5](C[5,5]C[5,5,6]C[5,6a]2)(N[5]C[5,5,6]C)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,5,6]2H)(N[5]C[6a]N[5]){1|C<2>,3|C<4>,4|H<1>,6|C<3>}	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5,5]C[6a])(CN){2|H<1>,3|C<4>,4|C<3>}	102.0100	0.000	1	102.0100	0.000	1	102.0100	0.000	1	102.0100	0.000	1	107.2260	20.683	3	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5,6]	N[5,6]	4:3:3:	4:4:3:4:	4:4:3:	C[5,6]-4:N[5,6]-3:C-3:	C[5,6,6]-4:C[6]-4:N[5]-3:C-4:	C[6,6]-4:C[5,6]-4:N[5]-3:	N[5](C[5,6]C[5,6,6]C[6]C)(N[5,6]C[5,6]C[6,6])(CC[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(N[5]N[5,6]C)(CCHH)	N[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6,6]HH)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6,6]C[6]C)(N[5,6]C[5,6]C[6,6])(CC[6a]O){4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(N[5]N[5,6]C)(CCHH){3|C<4>,5|H<1>}	N[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6,6]HH)(N[5]C[5,6]C){4|H<1>,5|C<4>}	111.2470	0.000	2	111.2470	0.000	2	111.2470	0.000	2	111.2470	0.000	2	111.2470	0.000	2	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5,6]	N[5]	4:3:3:	3:4:3:3:	3:2:3:	C[5,6]-4:N[5]-3:C-3:	C[6]-3:C[6]-4:C[5]-3:N[5]-3:	N[5]-3:S[5]-2:C-3:	N[5](C[5,6]C[5]C[6]2)(N[5]S[5]C)(COO)	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)(N[5]N[5]C)	N[5](N[5]C[5,6]C)(S[5]C[5])(COO)	N[5](C[5,6]C[5]C[6]2)(N[5]S[5]C)(COO){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)(N[5]N[5]C){2|H<1>,3|C<3>}	N[5](N[5]C[5,6]C)(S[5]C[5])(COO){1|C<3>,1|C<4>,1|N<2>}	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5]	N[5,5]	3:4:3:	4:3:2:1:	4:3:3:	N[5,5]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:O-2:H-1:	C[5,5]-4:C[5]-3:N[5]-3:	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(COO)	C[5](C[5]C[5,5]HH)(N[5]N[5,5]C)(OH)(H)	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]C)(N[5]C[5]C)	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(COO){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]N[5,5]C)(OH)(H){1|C<4>,2|C<3>}	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]C)(N[5]C[5]C){1|O<2>,3|C<3>,5|H<1>}	112.5950	0.000	1	112.5950	0.000	1	112.5950	0.000	1	112.5950	0.000	1	112.5950	0.000	1	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5]	N[5,6]	3:4:1:	4:3:1:1:	4:3:3:	N[5,6]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]H)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N)(N[5]C[5]H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]H)(H)2{1|H<1>,2|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N)(N[5]C[5]H){1|C<3>,2|C<2>,4|H<1>}	106.8860	0.000	1	106.8860	0.000	1	106.8860	0.000	1	106.8860	0.000	1	110.9992	7.000	5	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5]	N[5,6]	3:4:3:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5,6]CC)(N[5]N[5,6]C)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O){3|H<1>,4|C<4>}	C[5](C[5]C[5,6]CC)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|H<1>,5|C<4>}	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	110.9992	7.000	5	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5]	N[5,6]	3:4:3:	4:3:4:1:	4:4:3:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	113.1970	0.000	1	113.1970	0.000	1	112.7620	0.190	3	112.7620	0.190	3	110.9992	7.000	5	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5]	N[5,6]	3:4:3:	4:3:4:1:	4:4:3:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H){1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|H<1>,5|C<4>}	112.7630	0.000	1	112.7630	0.000	1	112.7620	0.190	3	112.7620	0.190	3	110.9992	7.000	5	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5]	N[5,6]	3:4:3:	4:3:4:1:	4:4:3:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	112.3260	0.000	1	112.3260	0.000	1	112.7620	0.190	3	112.7620	0.190	3	110.9992	7.000	5	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	3:4:3:1:	4:3:1:	C[5]-4:N[5]-3:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	N[5](C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5]CH)(N[5]C[5]C)(H){1|C<3>,1|N<3>,2|H<1>}	112.2430	0.000	1	112.2430	0.000	1	112.2430	0.000	1	112.2430	0.000	1	111.7287	22.920	4	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	3:4:3:1:	4:3:4:	C[5]-4:N[5]-3:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]O){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH){1|C<3>,3|H<1>}	113.2730	0.000	1	113.2730	0.000	1	113.2730	0.000	1	113.2730	0.000	1	111.7287	22.920	4	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]H)(N[5]C[5]C)(COO)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O){3|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]C)(COO){4|H<1>}	105.0430	0.000	1	105.0430	0.000	1	105.0430	0.000	1	105.0430	0.000	1	111.7287	22.920	4	110.2432	7.497	37
542	474	542	5:SP2_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:3:1:	4:3:1:	C[5]-4:N[5]-3:C-3:	P[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]P[5]H)(N[5]C[5]H)(CCO)	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]C)(H)	N[5](C[5]C[6a]P[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[6a]P[5]H)(N[5]C[5]H)(CCO){1|Rh<6>,1|H<1>,4|C<3>}	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]P[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|H<1>,4|C<3>}	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	111.7287	22.920	4	110.2432	7.497	37
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5,5,6]	N[5,5]	4:4:3:	4:4:3:1:	3:4:3:	C[5,5]-4:C[5,5,6]-4:N[5,5]-3:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5,5]-4:C[5]-3:	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H)	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]O)	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]C[5]){1|O<1>,3|C<4>,4|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	106.1050	0.000	1	106.1050	0.000	1	106.1050	0.000	1	106.1050	0.000	1	106.1050	0.000	1	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5,5]	N[5,5]	3:4:4:	3:3:3:3:	3:3:3:	N[5,5]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:	N[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]3)(C[5]C[6a]2N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,5]N[5,5]C[5])	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]3)(C[5]C[6a]2N[5]){11|C<3>,1|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,5]N[5,5]C[5]){1|N<3>,3|H<1>,9|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|H<1>,7|C<3>}	107.0650	0.000	1	107.0650	0.000	1	107.0650	0.000	1	107.0650	0.000	1	104.9397	3.808	3	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5,5]	N[5,5]	4:3:4:	3:3:3:3:	3:3:3:	C[5,5]-4:N[5,5]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]O)	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O){3|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	104.5250	0.000	1	104.5250	0.000	1	104.5250	0.000	1	104.5250	0.000	1	104.9397	3.808	3	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5,5]	N[5,5]	4:4:3:	3:3:3:4:	3:4:3:	C[5,5]-4:C[5,5,6]-4:N[5,5]-3:	N[5,5]-3:C[5,6a]-3:C[5,6a]-3:C[5,5]-4:	N[5,5]-3:C[5,5]-4:C[5]-3:	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]C[5])	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,5]C[5]H)	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]O)	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]C[5]){1|O<1>,3|C<4>,4|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,5]C[5]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5,5]C[5,5]C[5]H)(C[5]C[5,5,6]O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	103.2290	0.000	1	103.2290	0.000	1	103.2290	0.000	1	103.2290	0.000	1	104.9397	3.808	3	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5,5]	N[5]	4:3:3:	3:3:4:4:	3:4:3:	C[5,5]-4:C[5]-3:N[5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-3:	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]C)(N[5]C[5]C)	C[5,5](N[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(COO)	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]C)(N[5]C[5]C){1|O<2>,3|C<3>,5|H<1>}	C[5,5](N[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(COO){2|C<3>,2|C<4>,2|H<1>}	105.3970	0.000	1	105.3970	0.000	1	105.3970	0.000	1	105.3970	0.000	1	103.6088	6.057	5	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5,5]	N[5]	4:4:3:	3:4:4:1:	3:3:1:	C[5,5]-4:C[5,5]-4:N[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-3:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(N[5]C[5]H)	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(N[5]C[5]H){1|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	105.8860	0.000	1	105.8860	0.000	1	105.3810	0.510	2	105.3810	0.510	2	103.6088	6.057	5	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5,5]	N[5]	4:4:3:	3:4:4:1:	3:3:1:	C[5,5]-4:C[5,5]-4:N[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-3:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	104.8760	0.000	1	104.8760	0.000	1	105.3810	0.510	2	105.3810	0.510	2	103.6088	6.057	5	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5,5]	N[5]	4:4:3:	4:3:4:1:	3:3:1:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(N[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(N[5]C[5]H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](N[5,5]C[5,5]2)(C[5]C[5]O)(H){2|C<3>,2|C<4>,3|H<1>}	100.9425	0.144	2	100.9425	0.021	2	100.9425	0.021	2	100.9425	0.021	2	103.6088	6.057	5	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	3:4:4:	3:3:3:3:	3:3:3:	N[5,5]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:	N[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]3)(C[5]C[6a]2N[5])	C[5](N[5,5]C[5,5]N[5,5])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]3)(C[5]C[6a]2N[5]){11|C<3>,1|O<1>}	C[5](N[5,5]C[5,5]N[5,5])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{10|C<3>,1|O<1>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|H<1>,7|C<3>}	103.6980	0.000	1	103.6980	0.000	1	103.6980	0.000	1	103.6980	0.000	1	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	3:4:4:	3:4:1:1:	3:4:3:	N[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<4>,7|H<1>}	102.2510	0.000	1	102.2510	0.000	1	102.2510	0.000	1	102.2510	0.000	1	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	3:4:4:	3:4:4:1:	3:4:3:	N[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC3)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC3)(H){1|C<3>,2|H<1>,3|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<4>,7|H<1>}	101.8110	0.000	1	101.8110	0.000	1	101.8110	0.000	1	101.8110	0.000	1	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]N)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]N)(C[5]C[5]O){1|C<2>,1|C<3>,5|H<1>}	105.5320	0.000	1	105.5320	0.000	1	105.5320	0.000	1	105.5320	0.000	1	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-3:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(CCrCH)(H)	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|O<1>,2|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(CCrCH)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	104.1410	0.000	1	104.1410	0.000	1	104.1410	0.000	1	103.2642	0.618	6	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-3:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|O<1>,2|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	103.2140	0.000	1	103.2140	0.000	1	103.2140	0.000	1	103.2642	0.618	6	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|C<4>,6|H<1>}	103.6730	0.786	2	103.6730	0.618	2	103.0575	0.716	4	103.2642	0.618	6	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	102.5270	0.000	1	102.5270	0.000	1	103.0575	0.716	4	103.2642	0.618	6	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|O<2>,6|H<1>}	102.3570	0.000	1	102.3570	0.000	1	103.0575	0.716	4	103.2642	0.618	6	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:4:1:	3:4:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC){1|O<1>,3|C<3>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|C<3>,3|C<4>,4|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	104.5780	0.711	2	104.5780	0.506	2	103.0434	2.098	5	103.0434	2.098	5	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:4:1:	3:4:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|C<4>,3|C<3>,5|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	102.0970	0.044	2	102.0970	0.002	2	103.0434	2.098	5	103.0434	2.098	5	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:4:1:	3:4:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<3>,7|H<1>}	101.8670	0.000	1	101.8670	0.000	1	103.0434	2.098	5	103.0434	2.098	5	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:4:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,7|H<1>}	104.1150	0.000	1	104.1150	0.000	1	104.1150	0.000	1	104.1150	0.000	1	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]N)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]N)(C[5]C[5]O){1|C<2>,1|C<3>,5|H<1>}	102.6260	0.000	1	102.6260	0.000	1	102.7244	0.260	5	102.7244	0.260	5	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	103.3220	0.000	1	102.7490	0.342	4	102.7244	0.260	5	102.7244	0.260	5	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|C<4>,6|H<1>}	102.7285	0.644	2	102.7490	0.342	4	102.7244	0.260	5	102.7244	0.260	5	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{1|C<3>,1|O<2>,6|H<1>}	102.2170	0.000	1	102.7490	0.342	4	102.7244	0.260	5	102.7244	0.260	5	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	3:4:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]O){1|C<3>,7|H<1>}	101.9850	0.000	1	101.9850	0.000	1	101.9353	0.071	3	101.9353	0.071	3	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	3:4:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	101.9105	0.371	2	101.9105	0.138	2	101.9353	0.071	3	101.9353	0.071	3	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,2|C<3>,8|H<1>}	102.9600	0.000	1	102.9600	0.000	1	102.9600	0.000	1	103.1909	0.391	8	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	102.7930	0.000	1	102.8835	0.016	2	103.2239	0.446	7	103.1909	0.391	8	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	102.9740	0.000	1	102.8835	0.016	2	103.2239	0.446	7	103.1909	0.391	8	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]O){5|C<3>,5|H<1>}	103.5120	0.790	4	103.5120	0.624	4	103.2239	0.446	7	103.1909	0.391	8	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,7|H<1>}	102.7520	0.000	1	102.7520	0.000	1	103.2239	0.446	7	103.1909	0.391	8	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:3:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,5|C<3>,5|H<1>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	101.1860	0.000	1	101.1860	0.000	1	100.9888	0.118	5	100.9888	0.118	5	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:3:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,5|H<1>,6|C<3>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]O){5|C<3>,5|H<1>}	100.9395	0.375	4	100.9395	0.141	4	100.9888	0.118	5	100.9888	0.118	5	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:4:1:	3:3:3:	C[5,5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-3:	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(CH3)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]O)	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(CH3)(H){1|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	103.8280	0.000	1	103.8280	0.000	1	103.8280	0.000	1	103.8280	0.000	1	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:4:4:	3:4:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC){1|O<1>,3|C<3>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	102.5095	0.175	2	102.5095	0.031	2	102.5095	0.031	2	102.5095	0.031	2	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	4:3:3:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,2|C<3>,8|H<1>}	102.8280	0.000	1	102.8280	0.000	1	102.8280	0.000	1	101.6705	2.680	2	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	4:3:3:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	100.5130	0.000	1	100.5130	0.000	1	100.5130	0.000	1	101.6705	2.680	2	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,4|C<3>,4|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O){3|C<3>,4|H<1>}	105.4460	0.000	1	105.4460	0.000	1	105.4460	0.000	1	104.1180	3.527	2	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|Pt<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt)(H){2|C<4>,3|H<1>,4|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	102.7900	0.000	1	102.7900	0.000	1	102.7900	0.000	1	104.1180	3.527	2	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|Pt<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	102.3060	0.000	1	102.3060	0.000	1	102.5033	0.151	3	102.5033	0.151	3	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O){3|C<3>,4|H<1>}	102.9510	0.000	1	102.9510	0.000	1	102.5033	0.151	3	102.5033	0.151	3	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){2|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	102.2530	0.000	1	102.2530	0.000	1	102.5033	0.151	3	102.5033	0.151	3	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,5]	C[5]	N[5,5]	4:4:3:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){2|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	103.5880	0.000	1	103.5880	0.000	1	103.5880	0.000	1	103.5880	0.000	1	102.7840	1.347	48	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5,6]	N[5]	3:4:3:	4:3:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5,5]-4:C-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(N[5]C[5,5]C)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	N[5](N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(N[5]C[5,5]C){4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	103.1410	0.000	1	103.1410	0.000	1	103.1410	0.000	1	103.1410	0.000	1	102.3137	4.817	15	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5,6]	N[5]	4:3:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-3:N[5]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N)(N[5]C[5]H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N)(N[5]C[5]H){1|C<3>,2|C<2>,4|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	102.3137	4.817	15	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	3:3:3:1:	3:3:3:	C[5,6]-4:C[6]-4:N[5]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]C)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	102.2090	0.000	1	102.2090	0.000	1	102.2090	0.000	1	102.2090	0.000	1	102.3137	4.817	15	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6]-4:N[5]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-3:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	101.5550	0.000	2	102.1483	1.056	3	102.1483	1.056	3	102.1483	1.056	3	102.3137	4.817	15	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6]-4:N[5]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-3:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O){1|C<4>,2|C<3>,4|H<1>}	103.3350	0.000	1	102.1483	1.056	3	102.1483	1.056	3	102.1483	1.056	3	102.3137	4.817	15	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	3:3:4:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	101.8725	0.876	2	101.8725	0.768	2	101.8725	0.768	2	101.8725	0.768	2	102.3137	4.817	15	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6]-4:N[5]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-3:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O){1|C<4>,2|C<3>,4|H<1>}	102.2060	0.158	2	102.2060	0.025	2	102.2060	0.025	2	102.2060	0.025	2	102.3137	4.817	15	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	3:4:4:1:	3:3:4:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-3:C-4:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]C)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	100.8560	0.000	1	100.8560	0.000	1	100.8560	0.000	1	100.8560	0.000	1	102.3137	4.817	15	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	3:4:4:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]CC)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|H<1>,5|C<4>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,6|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O){3|H<1>,4|C<4>}	104.2630	0.000	1	104.2630	0.000	1	103.0100	3.140	2	103.0100	3.140	2	102.3137	4.817	15	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	3:4:4:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|H<1>,5|C<4>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,5|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){3|C<4>,4|H<1>}	101.7570	0.000	1	101.7570	0.000	1	103.0100	3.140	2	103.0100	3.140	2	102.3137	4.817	15	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	4:3:1:1:	4:3:3:	C[6,6]-4:C[5,6]-4:N[5]-3:	C[5,6,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:N[5,6]-3:C-3:	N[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6,6]HH)(N[5]C[5,6]C)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[6,6]N[5])(H)2	N[5](C[5,6]C[5,6,6]C[6]C)(N[5,6]C[5,6]C[6,6])(CC[6a]O)	N[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6,6]HH)(N[5]C[5,6]C){4|H<1>,5|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[6,6]N[5])(H)2{1|C<3>,3|H<1>,4|C<4>}	N[5](C[5,6]C[5,6,6]C[6]C)(N[5,6]C[5,6]C[6,6])(CC[6a]O){4|C<4>,6|H<1>}	99.5484	0.000	2	99.5484	0.000	2	99.5484	0.000	2	99.5484	0.000	2	102.3137	4.817	15	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5]	N[5,6]	3:4:4:	3:4:4:4:	3:3:3:	N[5,6]-3:C[6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C-4:C-4:	N[5,6]-3:C[6]-3:C[5]-3:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]CC)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O){2|C<3>,3|C<4>,3|H<1>}	103.7140	0.000	1	103.7140	0.000	1	103.1080	0.734	2	103.1080	0.734	2	102.6521	0.688	10	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5]	N[5,6]	3:4:4:	3:4:4:4:	3:3:3:	N[5,6]-3:C[6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C-4:C-4:	N[5,6]-3:C[6]-3:C[5]-3:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[5]CC)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	102.5020	0.000	1	102.5020	0.000	1	103.1080	0.734	2	103.1080	0.734	2	102.6521	0.688	10	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5]	N[5,6]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	102.4170	0.000	1	102.4170	0.000	1	102.4170	0.000	1	102.4170	0.000	1	102.6521	0.688	10	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5]	N[5,6]	4:3:4:	3:4:3:1:	3:4:3:	C[5,6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[5,5]-4:C[6]-3:	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,5]C[6])(C[5]C[5]CH)	C[5](N[5,6]C[5,6]N[5,6])(C[5]C[5,5]HH)(CCH)(H)	N[5,6](N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(C[6]N[6]S)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,5]C[6])(C[5]C[5]CH){1|O<1>,1|S<1>,2|H<1>,2|N<3>,6|C<3>}	C[5](N[5,6]C[5,6]N[5,6])(C[5]C[5,5]HH)(CCH)(H){1|C<4>,5|C<3>}	N[5,6](N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(C[6]N[6]S){1|C<4>,2|O<1>,4|H<1>,5|C<3>}	102.3710	0.000	1	102.3710	0.000	1	102.3710	0.000	1	102.3710	0.000	1	102.6521	0.688	10	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5]	N[5,6]	4:3:4:	3:4:4:1:	3:4:3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH){1|O<1>,3|C<3>,6|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	102.3860	0.000	1	102.3860	0.000	1	102.3860	0.000	1	102.3860	0.000	1	102.6521	0.688	10	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5]	N[5,6]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	103.1710	0.000	1	102.1643	0.783	3	102.1643	0.783	3	102.1643	0.783	3	102.6521	0.688	10	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5]	N[5,6]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	101.6610	0.212	2	102.1643	0.783	3	102.1643	0.783	3	102.1643	0.783	3	102.6521	0.688	10	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5]	N[5,6]	4:4:3:	3:3:4:1:	3:4:3:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,4|H<1>,6|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	102.4060	0.000	1	102.4060	0.000	1	103.3190	1.667	2	103.3190	1.667	2	102.6521	0.688	10	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5,6]	C[5]	N[5,6]	4:4:3:	3:3:4:1:	3:4:3:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]S[6]H)(N[5,6]C[5]C[6])	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]S[6]H)(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](N[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|S<2>,2|C<3>,6|H<1>}	104.2320	0.000	1	104.2320	0.000	1	103.3190	1.667	2	103.3190	1.667	2	102.6521	0.688	10	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5,5,6]	N[5]	4:3:2:	4:4:3:1:	4:3:3:	C[5,5,6]-4:N[5]-3:C-2:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5,5]C[6a])(CN)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H)	N[5](C[5,5]C[5,5,6]C[5,6a]2)(N[5]C[5,5,6]C)(C[6a]C[6a]2)	N[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5,5]C[6a])(CN){2|H<1>,3|C<4>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]N[5]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,5]C[5,5,6]C[5,6a]2)(N[5]C[5,5,6]C)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5,5]	N[5,5]	4:3:1:	4:3:4:3:	4:3:3:	C[5,5]-4:N[5,5]-3:H-1:	C[5,5]-4:N[5]-3:C[5]-4:C-3:	C[5,5]-4:N[5]-3:C[5]-3:	N[5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,5]C[5])(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5]N[5,5]H)(C[5]C[5]HH)(COO)	N[5,5](C[5,5]C[5,5]C[5]O)(N[5]C[5,5]H)(C[5]N[5]S)	N[5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,5]C[5])(H){1|C<3>,1|N<3>,1|O<2>,1|S<1>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5]N[5,5]H)(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,5]C[5]O)(N[5]C[5,5]H)(C[5]N[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	104.9280	1.167	2	104.9280	1.361	2	104.9280	1.361	2	104.9280	1.361	2	104.9280	1.361	2	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5,5]	N[5]	4:3:4:	3:3:3:3:	3:3:4:	C[5,5]-4:N[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:N[5]-3:P-4:	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]P)(CC[6a]2H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(PC3)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]P)(CC[6a]2H){6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){1|P<4>,3|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(PC3){1|H<1>,4|C<3>}	104.9300	0.000	1	104.9300	0.000	1	104.9300	0.000	1	104.9300	0.000	1	104.9300	0.000	1	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5,6]	N[5,6]	4:3:4:	4:3:4:1:	4:3:3:	C[5,6]-4:N[5,6]-3:S-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-3:	N[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(SC[6a]OO)	C[5,6](C[5,6]C[5,6]C[6]C)(N[5]N[5,6]S)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]S)(C[6]N[6]H)	N[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(SC[6a]OO){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(N[5]N[5,6]S)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]S)(C[6]N[6]H){1|H<1>,2|C<4>,3|C<3>}	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5,6]	3:4:4:	4:3:3:1:	4:3:3:	N[5,6]-3:C[5]-4:S-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5](C[5]C[5,6]CN)(C[6a]C[6a]2)(N[5]N[5,6]S)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S)	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5](C[5]C[5,6]CN)(C[6a]C[6a]2)(N[5]N[5,6]S)(H){3|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	3:4:1:	4:3:3:1:	3:3:3:	N[5]-3:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-3:C[6a]-3:N[5]-3:	N[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5]3)(N[5]N[5]H)(CCH)(H)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5]3)(N[5]N[5]H)(CCH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	104.0830	0.000	1	104.0830	0.000	1	104.0830	0.000	1	104.0830	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	3:3:3:	N[5]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)	C[5](C[5]C[5]CH)(N[5]N[5]H)(CF3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]N[5]H)(CF3)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){2|C<3>,2|C<4>,4|H<1>}	105.0830	0.000	1	105.0830	0.000	1	105.6815	0.716	2	105.6815	0.716	2	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	3:4:1:	4:3:4:1:	3:3:3:	N[5]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	106.2800	0.000	1	106.2800	0.000	1	105.6815	0.716	2	105.6815	0.716	2	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	3:4:2:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:C-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:	N[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CN)	C[5](C[5]C[5,5]ClC)(N[5]N[5]C)(H)2	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CN){1|Cl<1>,5|C<3>}	C[5](C[5]C[5,5]ClC)(N[5]N[5]C)(H)2{3|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cl<1>,4|H<1>,7|C<3>}	107.9380	0.000	1	107.9380	0.000	1	107.9380	0.000	1	107.9380	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	3:4:3:	3:4:1:1:	3:3:4:	C[6a]-3:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-3:C-4:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CN[5a]HH)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CN[5a]HH){2|C<3>,4|H<1>}	102.9710	0.000	1	102.9710	0.000	1	102.9710	0.000	1	102.9710	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	3:4:3:	3:4:3:1:	3:3:1:	C[6a]-3:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){1|N<2>,2|C<3>,3|H<1>}	104.3320	0.000	1	104.3320	0.000	1	104.3320	0.000	1	104.3320	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	3:4:4:	3:3:3:1:	3:3:2:	N[5]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:N-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](N[5]C[6a]N[5])(C[5]C[5]HN)(CH3)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(NHH)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[5]C[5]HN)(CH3){3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(NHH)(H){3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	105.0310	0.000	1	105.0310	0.000	1	105.0310	0.000	1	105.0310	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	3:4:4:	4:3:4:1:	3:3:3:	N[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-3:N[5]-3:	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CC[6a]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC3)(H){1|C<3>,1|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	104.2980	0.000	1	104.2980	0.000	1	104.2980	0.000	1	104.2980	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:1:	3:4:3:1:	3:3:3:	C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){1|C<3>,3|H<1>}	104.0990	0.000	1	104.0990	0.000	1	104.0990	0.000	1	104.0990	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:1:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	S[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]HH)(N[5]S[5]C)(H)	C[5](C[5]S[5]CH)(N[5]N[5]H)(H)2	N[5](S[5]C[5]OO)(N[5]C[5]H)(CCO)	N[5](C[5]C[5]HH)(N[5]S[5]C)(H){1|C<4>,1|H<1>,2|O<1>}	C[5](C[5]S[5]CH)(N[5]N[5]H)(H)2{1|C<3>,2|O<1>}	N[5](S[5]C[5]OO)(N[5]C[5]H)(CCO){1|C<4>,3|H<1>}	106.0880	0.000	1	106.0880	0.000	1	106.0880	0.000	1	106.0880	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:1:	4:3:3:1:	4:3:3:	C[5]-4:N[5]-3:H-1:	P[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[6a]P[5]H)(N[5]C[5]C)(H)	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]H)(H)	N[5](C[5]C[6a]P[5]H)(N[5]C[5]H)(CCO)	N[5](C[5]C[6a]P[5]H)(N[5]C[5]C)(H){1|Rh<6>,1|H<1>,4|C<3>}	C[5](P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(N[5]N[5]H)(H){1|O<2>,2|H<1>,6|C<3>}	N[5](C[5]C[6a]P[5]H)(N[5]C[5]H)(CCO){1|Rh<6>,1|H<1>,4|C<3>}	105.9940	0.000	1	105.9940	0.000	1	105.9940	0.000	1	105.9940	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	3:3:3:	C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	N[5](C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){1|C<4>,3|H<1>}	103.5170	0.000	1	103.5170	0.000	1	104.2157	0.382	3	104.2157	0.382	3	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	3:3:3:	C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	N[5](C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(CF3)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){1|C<4>,3|H<1>}	104.5650	0.178	2	104.5650	0.032	2	104.2157	0.382	3	104.2157	0.382	3	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	4:3:3:	C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HN)(N[5]N[5]H)(CF3)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O)	N[5](C[5]C[5]CH)(N[5]C[5]C)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]N[5]H)(CF3)(H){1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.2890	0.000	1	104.2890	0.000	1	104.2890	0.000	1	104.2890	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	3:3:3:	C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CH3)2	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	N[5](C[5]C[5]CC)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(CH3)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){2|C<4>,2|H<1>}	103.4660	0.000	1	103.4660	0.000	1	104.1595	0.962	2	104.1595	0.962	2	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:1:	4:3:4:4:	3:3:3:	C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CH3)2	N[5](C[5]C[5]O)(N[5]C[5]H)(CC[5]O)	N[5](C[5]C[5]CC)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(CH3)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]H)(CC[5]O){2|C<4>,2|H<1>}	104.8530	0.000	1	104.8530	0.000	1	104.1595	0.962	2	104.1595	0.962	2	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){3|C<3>,3|H<1>}	104.3380	1.042	4	104.3380	1.086	4	104.3380	1.086	4	104.3380	1.086	4	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:4:	3:4:3:1:	3:3:1:	C[5]-4:N[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]2H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(H){1|C<3>,3|H<1>}	102.6100	0.000	1	102.6100	0.000	1	102.6100	0.000	1	102.6100	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:4:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(H){4|H<1>}	101.9377	0.463	4	101.9377	0.214	4	102.2692	0.377	8	102.2692	0.377	8	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:4:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(H){4|H<1>}	102.4620	0.550	2	102.4620	0.303	2	102.2692	0.377	8	102.2692	0.377	8	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:4:	4:3:1:1:	3:3:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HP)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HP){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(H){4|H<1>}	102.7395	0.858	2	102.7395	0.736	2	102.2692	0.377	8	102.2692	0.377	8	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:4:	4:3:1:1:	3:3:3:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CCH)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(CCH){4|H<1>}	102.6650	0.559	2	102.6650	0.312	2	102.6650	0.312	2	102.6650	0.312	2	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:4:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(CCHH){4|H<1>}	102.5257	1.056	3	102.5257	1.115	3	102.1470	1.317	4	102.1470	1.317	4	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:4:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H){4|H<1>}	101.0110	0.000	1	101.0110	0.000	1	102.1470	1.317	4	102.1470	1.317	4	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:4:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]O)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]O){2|C<3>,4|H<1>}	100.8070	0.000	1	100.8070	0.000	1	100.8070	0.000	1	100.8070	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:4:	4:3:4:1:	3:3:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHN)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHN)(H){1|H<1>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(H){1|C<4>,3|H<1>}	103.5575	0.449	2	103.5575	0.202	2	103.5575	0.202	2	103.5575	0.202	2	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:3:4:	4:3:4:4:	3:3:3:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]CC)(N[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[5]O)	N[5](C[5]C[5]CC)(N[5]C[5]C)(CC[6a]HH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2{1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[5]O){2|C<4>,2|H<1>}	101.9130	0.537	2	101.9130	0.289	2	101.9130	0.289	2	101.9130	0.289	2	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(N[5]C[5]H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(N[5]C[5]2)(H){1|C<4>,2|C<3>,4|H<1>}	100.8440	0.000	1	100.8440	0.000	1	100.8440	0.000	1	100.8440	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:4:3:	3:4:1:1:	3:3:4:	C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]O)(N[5]C[5]2)(CC[6a]HH)	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5]O)(N[5]C[5]2)(CC[6a]HH){1|N<3>,2|C<3>,4|H<1>}	102.7310	0.000	1	102.7310	0.000	1	102.7310	0.000	1	102.7310	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP2_SP3	N[5]	C[5]	N[5]	4:4:3:	3:4:4:4:	3:3:1:	C[6]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6,6a]O[6]H)(C[5]C[5]CC)(N[5]C[5]H)	C[5](N[5]C[6]N[5])(C[5]C[5]HH)(CH3)2	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H)	N[5](C[6]C[6,6a]O[6]H)(C[5]C[5]CC)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6]N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	104.0150	0.000	1	104.0150	0.000	1	104.0150	0.000	1	104.0150	0.000	1	103.4733	2.500	44	103.2505	3.385	132
542	474	542	5:SP3_SP3_SP3	N[5,5,6]	C[5,5]	N[5,6]	4:4:3:	3:4:3:3:	3:4:4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:	N[5,5,6]-3:C[5,5]-4:C[6a]-3:C[5]-3:	N[5,5,6]-3:C[5,5]-4:C[5,6]-4:	N[5,5,6](C[5,5]C[5,5]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])(N[5,6]C[5,5]C[5,6])	C[5,5](N[5,5,6]C[5,6]N[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	N[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[5]H)	N[5,5,6](C[5,5]C[5,5]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])(N[5,6]C[5,5]C[5,6]){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](N[5,5,6]C[5,6]N[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	99.7513	0.000	1	99.7513	0.000	1	99.7513	0.000	1	99.7513	0.000	1	99.7513	0.000	1	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	N[5,5]	4:3:4:	3:4:3:4:	4:3:3:	C[5,6]-4:N[5,5]-3:C[5,6]-4:	N[5,5,6]-3:C[5,5]-4:C[6a]-3:C[6]-4:	C[5,5]-4:N[5,5,6]-3:C[5]-3:	N[5,5,6](C[5,6]C[5,5]C[6a]C[6])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5,6]C[5,6]2)(C[5]C[5]O)	N[5,5,6](C[5,6]C[5,5]C[6a]C[6])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,4|C<3>,8|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5,6]C[5,6]2)(C[5]C[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	107.5670	0.000	1	107.5670	0.000	1	107.5670	0.000	1	107.5670	0.000	1	105.0668	4.095	6	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	N[5,5]	4:3:4:	3:4:4:1:	4:3:3:	C[5,6]-4:N[5,5]-3:C[5,6]-4:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,5]-4:N[5,5,6]-3:C[5]-3:	N[5,5,6](C[5,6]C[5,5]C[6a]C[6])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5,6]C[5,6]2)(C[5]C[5]O)	N[5,5,6](C[5,6]C[5,5]C[6a]C[6])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,4|C<3>,8|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5,6]C[5,6]2)(C[5]C[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	104.3150	0.000	1	104.3150	0.000	1	104.3150	0.000	1	104.3150	0.000	1	105.0668	4.095	6	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	N[5,5]	4:4:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[5,6]-4:N[5,5]-3:	N[5,5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	N[5,5,6]-3:C[5]-3:C[5]-3:	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]C)(C[5]C[5]O)	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,4|C<3>,5|H<1>}	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	106.2160	0.000	1	106.2160	0.000	1	106.4165	0.080	2	106.4165	0.080	2	105.0668	4.095	6	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	N[5,5]	4:4:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[5,6]-4:N[5,5]-3:	N[5,5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	N[5,5,6]-3:C[5]-3:C[5]-3:	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]H)(C[5]C[5]O)	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,3|C<3>,6|H<1>}	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	106.6170	0.000	1	106.6170	0.000	1	106.4165	0.080	2	106.4165	0.080	2	105.0668	4.095	6	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	N[5,5]	4:4:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[5,6]-4:N[5,5]-3:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,5,6]-3:C[5]-3:C[5]-3:	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]C)(C[5]C[5]O)	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	102.9930	0.000	1	102.9930	0.000	1	102.8430	0.045	2	102.8430	0.045	2	105.0668	4.095	6	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	N[5,5]	4:4:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[5,6]-4:N[5,5]-3:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,5,6]-3:C[5]-3:C[5]-3:	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]H)(C[5]C[5]O)	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	102.6930	0.000	1	102.6930	0.000	1	102.8430	0.045	2	102.8430	0.045	2	105.0668	4.095	6	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	N[5,5]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5,5]-3:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:N[5,5]-3:C[5]-4:	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC)	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]N[5,5]C[5])(H)	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC)	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC){4|H<1>,7|C<4>}	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]N[5,5]C[5])(H){1|N<3>,4|H<1>,7|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC){1|C<3>,4|H<1>,6|C<4>}	102.5310	0.945	2	102.5310	0.892	2	103.5298	2.257	4	103.5298	2.257	4	103.7480	1.931	5	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	N[5,5]	4:3:4:	4:4:3:1:	4:3:4:	C[5,5,6]-4:N[5,5]-3:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:N[5,5]-3:C[5]-4:	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]N[5,5]C[5])(H)	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC)	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC){1|C<3>,4|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]N[5,5]C[5])(H){1|C<3>,4|H<1>,6|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC){4|H<1>,7|C<4>}	104.5285	1.374	2	104.5285	1.888	2	103.5298	2.257	4	103.5298	2.257	4	103.7480	1.931	5	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	N[5,5]	4:4:3:	4:4:3:1:	3:3:4:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-3:C[5]-4:	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H)	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5]C[5,5,6]O)(C[5]C[5,5]HH)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2){1|O<1>,5|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H){1|O<1>,4|C<4>,6|H<1>}	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5]C[5,5,6]O)(C[5]C[5,5]HH){4|C<4>,4|H<1>}	104.6210	0.000	1	104.6210	0.000	1	104.6210	0.000	1	104.6210	0.000	1	103.7480	1.931	5	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5,5]	N[5,5,6]	4:3:3:	3:4:3:1:	4:3:4:	C[5,5]-4:N[5,5,6]-3:C[5]-3:	N[5,5]-3:C[5,5]-4:C[5]-3:H-1:	C[5,6]-4:N[5,5]-3:C[5,6]-4:	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5,6]C[5,6]2)(C[5]C[5]O)	C[5,5](N[5,5]N[5,5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H)	N[5,5,6](C[5,6]C[5,5]C[6a]C[6])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5,6]C[5,6]2)(C[5]C[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](N[5,5]N[5,5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]N[5]O)(H){2|C<3>,2|O<1>,3|C<4>}	N[5,5,6](C[5,6]C[5,5]C[6a]C[6])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,4|C<3>,8|H<1>}	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5,5]	N[5,5]	4:3:3:	3:3:3:3:	3:4:4:	C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:N[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:	N[5,5](C[5,5]C[5,6a]C[5]N[5])(N[5,5]C[5]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5])(C[5]N[5]O)(N[5]C[5]C)	N[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[5]C[5]HH)	N[5,5](C[5,5]C[5,6a]C[5]N[5])(N[5,5]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5])(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,2|H<1>,5|C<3>}	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	106.7317	7.765	3	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5,5]	N[5,5]	4:3:3:	3:4:4:1:	4:3:4:	C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,8|H<1>}	C[5,5](N[5,5]N[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	106.7317	7.765	3	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5,5]	N[5,5]	4:4:3:	3:4:4:1:	3:3:4:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-3:C[5]-4:	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5]C[5,5,6]O)(C[5]C[5,5]HH)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2){1|O<1>,5|C<4>,7|H<1>}	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,7|H<1>}	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5]C[5,5,6]O)(C[5]C[5,5]HH){4|C<4>,4|H<1>}	103.5340	0.000	1	103.5340	0.000	1	103.5340	0.000	1	103.5340	0.000	1	106.7317	7.765	3	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5,5]	N[5]	4:3:3:	3:3:2:4:	3:3:3:	C[5,5]-4:C[5]-3:N[5]-3:	N[5,5]-3:C[5]-3:N[5]-2:C-4:	N[5,5]-3:C[5]-3:C-3:	N[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]O)(N[5]C[5]C)	C[5,5](N[5,5]C[5]N[5])(C[5]N[5]O)(N[5]C[5])(CCCH)	N[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(COO)	N[5,5](C[5,5]C[5]N[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>}	C[5,5](N[5,5]C[5]N[5])(C[5]N[5]O)(N[5]C[5])(CCCH){1|C<4>,1|O<1>,2|C<3>}	N[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	105.1400	0.000	1	105.1400	0.000	1	105.1400	0.000	1	105.1400	0.000	1	106.7950	5.478	2	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5,5]	N[5]	4:4:3:	4:3:4:1:	3:4:1:	C[5,5]-4:C[5]-4:N[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(N[5]C[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]N[5])(C[5]C[5]CH)(H)	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(N[5]C[5]H){2|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]N[5])(C[5]C[5]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H){1|C<3>,3|C<4>,3|H<1>}	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	106.7950	5.478	2	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	3:3:4:	4:3:1:1:	4:4:3:	N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:N[5,5]-3:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5]C[5,5,6]O)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(H)2	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)	N[5,5](N[5,5]C[5,5,6]C[5,5])(C[5]C[5,5,6]O)(C[5]C[5,5]HH){4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(H)2{1|O<1>,3|H<1>,4|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2){1|O<1>,5|C<4>,7|H<1>}	106.9510	0.000	1	106.9510	0.000	1	106.9510	0.000	1	106.9510	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	3:4:3:	3:3:1:1:	4:3:4:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-3:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	106.9195	0.274	2	106.9195	0.075	2	106.9195	0.075	2	106.9195	0.075	2	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	3:4:3:	3:4:1:1:	4:3:4:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC)	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC){1|O<1>,3|C<3>,5|H<1>}	108.1470	0.000	1	108.1470	0.000	1	108.1470	0.000	1	108.1470	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	3:4:4:	3:2:1:1:	3:4:4:	N[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:	N[5,5](N[5,5]C[5]2)(C[5]S[5]HH)2	C[5](N[5,5]N[5,5]C[5])(S[5]C[5])(H)2	N[5,5](N[5,5]C[5]2)(C[5]S[5]HH)2	N[5,5](N[5,5]C[5]2)(C[5]S[5]HH)2{4|H<1>}	C[5](N[5,5]N[5,5]C[5])(S[5]C[5])(H)2{1|C<4>,1|S<2>,4|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]S[5]HH)2{4|H<1>}	106.6560	2.628	2	106.6560	6.904	2	106.6560	6.904	2	106.6560	6.904	2	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	3:4:4:	3:3:3:1:	4:3:3:	N[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	N[5,5](C[5,5]C[5,6a]C[5]N[5])(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,2|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]N[5])(N[5,5]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	101.8910	0.000	1	101.8910	0.000	1	101.8910	0.000	1	101.8910	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	3:4:4:	3:4:1:1:	4:3:3:	N[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]N[5])(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,2|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5,5](C[5,5]C[5,6a]C[5]N[5])(N[5,5]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	104.0620	0.000	1	104.0620	0.000	1	104.0620	0.000	1	104.0620	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:3:	3:3:4:4:	4:3:4:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CCHH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:3:	4:3:3:1:	4:3:4:	C[5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(COO)(H)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(COO)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,3|C<3>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	113.6060	0.000	1	113.6060	0.000	1	113.6060	0.000	1	113.6060	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	105.1250	0.000	1	105.1250	0.000	1	105.1250	0.000	1	105.1250	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:3:1:	3:4:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	103.5665	0.097	2	103.5665	0.009	2	103.5665	0.009	2	103.5665	0.009	2	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,7|H<1>}	103.1160	0.000	1	103.1160	0.000	1	103.1160	0.000	1	103.1160	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:4:1:	3:4:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC){1|O<1>,3|C<3>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|C<3>,3|C<4>,4|H<1>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	104.4640	0.000	1	104.4640	0.000	1	104.4640	0.000	1	104.4640	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:3:4:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<4>,3|H<1>,4|C<3>}	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	102.2180	0.000	1	102.2180	0.000	1	102.2180	0.000	1	102.2180	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){1|C<3>,7|H<1>}	104.2660	0.000	1	104.2660	0.000	1	104.2660	0.000	1	104.2660	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	3:4:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	102.9050	0.134	2	102.9050	0.018	2	102.9050	0.018	2	102.9050	0.018	2	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,8|H<1>}	103.0640	0.000	1	103.0640	0.000	1	103.0640	0.000	1	102.8595	0.084	2	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:1:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	102.6550	0.000	1	102.6550	0.000	1	102.6550	0.000	1	102.8595	0.084	2	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:4:1:	3:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(CCCH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(CCCH)(H){1|H<1>,1|O<1>,3|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	104.4600	0.000	1	104.4600	0.000	1	104.4600	0.000	1	104.4600	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:4:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](C[5]C[6a]C[5]C)(N[5,5]C[5]2)(C[5]C[5]O){1|C<4>,3|C<3>,6|H<1>}	105.2400	0.000	1	105.2400	0.000	1	105.2400	0.000	1	105.2400	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:4:4:	3:4:3:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5]-3:C[5]-4:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC){1|O<1>,3|C<3>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	103.6820	0.000	1	103.6820	0.000	1	103.6820	0.000	1	103.6820	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:4:4:	4:3:4:	C[5,5,6]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:N[5,5]-3:C[5]-4:	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC)	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC)	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC){1|C<3>,4|H<1>,6|C<4>}	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2{3|H<1>,6|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC){4|H<1>,7|C<4>}	104.6435	0.482	2	104.9147	0.267	4	104.9147	0.267	4	104.9147	0.267	4	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	3:4:4:4:	4:3:4:	C[5,5,6]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5,5,6]-4:C-4:C-4:	C[5,5,6]-4:N[5,5]-3:C[5]-4:	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC)	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC)	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC){4|H<1>,7|C<4>}	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2{1|C<3>,3|H<1>,5|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC){1|C<3>,4|H<1>,6|C<4>}	105.1860	0.523	2	104.9147	0.267	4	104.9147	0.267	4	104.9147	0.267	4	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	4:3:3:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,8|H<1>}	104.7850	0.000	1	104.7850	0.000	1	104.7850	0.000	1	104.8390	0.006	2	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:3:4:	4:3:3:1:	4:3:3:	C[5]-4:N[5,5]-3:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	N[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]O){3|C<3>,5|H<1>}	104.8930	0.000	1	104.8930	0.000	1	104.8930	0.000	1	104.8390	0.006	2	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:4:3:	3:3:2:1:	3:3:3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:N[5]-2:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])(H){2|C<4>,3|H<1>,4|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C){1|N<3>,2|C<3>,3|H<1>}	102.4150	0.000	1	102.4150	0.000	1	102.4150	0.000	1	102.4150	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	C[5]-3:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,2|H<1>,6|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O){4|H<1>,5|C<3>}	105.2890	0.000	1	105.2890	0.000	1	105.2890	0.000	1	105.2890	0.000	1	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-3:N[5,5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,2|H<1>,6|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	N[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]C[5]O){4|H<1>,5|C<3>}	103.0940	0.000	1	103.0940	0.000	1	103.0940	0.000	1	103.4085	1.264	6	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]O)(C[5]N[5]C){1|N<3>,2|C<3>,3|H<1>}	105.1360	0.000	1	105.1360	0.000	1	103.4714	1.551	5	103.4085	1.264	6	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,4|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,6|H<1>}	103.8725	0.008	2	103.0553	0.913	4	103.4714	1.551	5	103.4085	1.264	6	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,5]	C[5]	N[5,5]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:C[5]-3:	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,4|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	N[5,5](N[5,5]C[5]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,6|H<1>}	102.2380	0.259	2	103.0553	0.913	4	103.4714	1.551	5	103.4085	1.264	6	104.6814	5.011	38	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6,6]	C[5,6,6]	N[5]	4:4:3:	3:4:3:1:	3:4:4:	C[5,6,6]-4:C[6,6]-4:N[5]-3:	N[5,6,6]-3:C[5,6]-4:C[6]-3:H-1:	N[5,6,6]-3:C[5]-4:S-4:	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S)	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H)	N[5](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(SC[6a]OO)	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S){1|C<4>,3|C<3>,3|H<1>}	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H){1|O<2>,1|S<4>,3|C<3>,4|H<1>}	N[5](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	103.3080	0.000	1	103.3080	0.000	1	103.3080	0.000	1	103.3080	0.000	1	103.3080	0.000	1	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5,5]	N[5,5,6]	3:4:4:	3:4:3:1:	4:4:3:	N[5,5,6]-3:C[5,5]-4:C[5,6]-4:	N[5,6]-3:C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:	N[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[5]H)	C[5,5](N[5,6]N[5,5,6]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	N[5,5,6](C[5,5]C[5,5]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])(N[5,6]C[5,5]C[5,6])	N[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](N[5,6]N[5,5,6]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5,5,6](C[5,5]C[5,5]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])(N[5,6]C[5,5]C[5,6]){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	104.3430	0.000	1	104.3430	0.000	1	104.3430	0.000	1	104.3430	0.000	1	104.3430	0.000	1	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5,6]	N[5]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C){4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){3|C<3>,3|H<1>}	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O){2|H<1>,4|C<3>}	102.6360	0.000	1	102.6360	0.000	1	102.6360	0.000	1	102.6360	0.000	1	102.8891	1.653	10	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5,6]	N[5]	4:3:3:	3:3:4:1:	3:4:4:	C[5,6]-4:C[6]-3:N[5]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:S-4:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(SC[6a]OO)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H){1|N<2>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	105.3470	0.000	1	105.3470	0.000	1	105.3470	0.000	1	105.3470	0.000	1	102.8891	1.653	10	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5,6]	N[5]	4:3:4:	4:3:3:1:	4:3:4:	C[5,6]-4:N[5]-3:C[6]-4:	C[5,5]-4:C[6,6a]-3:N[5,6]-3:H-1:	C[5,5]-4:N[5,6]-3:S-4:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(N[5]C[5,5]S)(C[6]C[6]HH)	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H)	N[5](C[5,5]C[5,5]N[5]H)(N[5,6]C[5,6]C[6])(SC[6a]OO)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(N[5]C[5,5]S)(C[6]C[6]HH){2|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,6a]C[5,5]N)(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(H){1|C<4>,1|N<3>,1|S<4>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(N[5,6]C[5,6]C[6])(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	103.8440	0.000	1	103.8440	0.000	1	103.8440	0.000	1	103.8440	0.000	1	102.8891	1.653	10	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	3:3:4:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){2|C<4>,3|C<3>,4|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	102.5380	0.000	1	102.5380	0.000	1	102.4932	0.030	4	102.4932	0.030	4	102.8891	1.653	10	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	3:3:4:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<2>,2|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,3|C<3>,5|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	102.3580	0.023	2	102.3580	0.001	2	102.4932	0.030	4	102.4932	0.030	4	102.8891	1.653	10	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	3:3:4:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CC[6a]O){1|C<4>,4|C<3>,4|H<1>}	102.7190	0.000	1	102.7190	0.000	1	102.4932	0.030	4	102.4932	0.030	4	102.8891	1.653	10	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	3:4:3:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[6]N[5])(H){2|C<4>,4|H<1>,5|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){1|C<4>,2|C<3>,4|H<1>}	101.8060	0.000	1	101.8060	0.000	1	101.8060	0.000	1	101.8060	0.000	1	102.8891	1.653	10	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	100.9320	0.000	1	100.9320	0.000	1	100.9320	0.000	1	100.9320	0.000	1	102.8891	1.653	10	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5,6]	N[5]	4:4:3:	3:4:4:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|C<4>,5|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]CC)(H){1|C<3>,1|C<4>,6|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O){3|C<4>,4|H<1>}	104.3530	0.000	1	104.3530	0.000	1	104.3530	0.000	1	104.3530	0.000	1	102.8891	1.653	10	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5]	N[5,6]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	100.8660	0.000	1	101.2250	0.258	2	101.2250	0.258	2	101.2250	0.258	2	102.9663	9.342	7	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5]	N[5,6]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	101.5840	0.000	1	101.2250	0.258	2	101.2250	0.258	2	101.2250	0.258	2	102.9663	9.342	7	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5]	N[5,6]	4:3:4:	3:4:1:1:	4:3:4:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,7|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,5|H<1>}	101.0500	0.000	1	101.0500	0.000	1	100.7535	0.176	2	100.7535	0.176	2	102.9663	9.342	7	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5]	N[5,6]	4:3:4:	3:4:1:1:	4:3:4:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,5|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,7|H<1>}	100.4570	0.000	1	100.4570	0.000	1	100.7535	0.176	2	100.7535	0.176	2	102.9663	9.342	7	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5]	N[5,6]	4:3:4:	3:4:3:1:	4:3:4:	C[5]-4:N[5,6]-3:C[6]-4:	N[5,6]-3:P[5]-4:C[6a]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-4:	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)	C[5](N[5,6]N[5,6]C[6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H)	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH){1|Rh<4>,3|H<1>,6|C<3>}	C[5](N[5,6]N[5,6]C[6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH){1|Rh<4>,3|H<1>,6|C<3>}	107.2440	1.656	2	107.2440	2.742	2	107.2440	2.742	2	107.2440	2.742	2	102.9663	9.342	7	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5,6]	C[5]	N[5,6]	4:3:4:	3:4:4:1:	3:3:3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC3)(H)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	102.3190	0.000	1	102.3190	0.000	1	102.3190	0.000	1	102.3190	0.000	1	102.9663	9.342	7	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5,5]	N[5,6]	4:3:4:	4:3:3:1:	4:3:4:	C[5,5]-4:N[5,6]-3:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-4:	N[5](C[5,5]C[5,5]N[5]H)(N[5,6]C[5,6]C[6])(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5,6]N)(N[5]C[5,6a]C)(N[5]N[5,6]S)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(N[5]C[5,5]S)(C[6]C[6]HH)	N[5](C[5,5]C[5,5]N[5]H)(N[5,6]C[5,6]C[6])(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]N)(N[5]C[5,6a]C)(N[5]N[5,6]S)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(N[5]C[5,5]S)(C[6]C[6]HH){2|N<3>,3|C<3>,3|H<1>}	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	110.1570	0.000	1	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5,5]	N[5]	4:3:1:	3:4:3:3:	3:4:3:	C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:C-3:	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]H)	N[5](N[5]C[5,5]H)(C[5]C[5]CH)(COO)	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	N[5](N[5]C[5,5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	102.9690	0.000	1	102.9690	0.000	1	102.9690	0.000	1	102.9690	0.000	1	105.0887	14.482	3	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5,5]	N[5]	4:3:1:	4:4:3:4:	4:3:3:	C[5,5]-4:N[5]-3:H-1:	C[3,5,5]-4:C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:C-3:	N[5](C[5,5]C[3,5,5]C[5]C)(N[5]C[5]C)(H)	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(N[5]N[5]H)(CH3)	N[5](C[5]C[3,5,5]HH)(N[5]C[5,5]H)(CC[6a]O)	N[5](C[5,5]C[3,5,5]C[5]C)(N[5]C[5]C)(H){3|C<4>,4|H<1>}	C[5,5](C[3,5,5]C[3,5]C[3]C[5])(C[5]C[5]HH)(N[5]N[5]H)(CH3){1|Si<4>,1|C<3>,6|H<1>}	N[5](C[5]C[3,5,5]HH)(N[5]C[5,5]H)(CC[6a]O){4|C<4>}	102.8150	0.000	1	102.8150	0.000	1	102.8150	0.000	1	102.8150	0.000	1	105.0887	14.482	3	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5,5]	N[5]	4:3:3:	3:3:3:4:	3:4:2:	C[5,5]-4:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C[5]-4:	N[5]-3:C[5]-4:C-2:	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC)	N[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CN)	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cl<1>,4|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC){1|C<2>,4|H<1>,6|C<3>}	N[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CN){1|Cl<1>,5|C<3>}	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	105.0887	14.482	3	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5,5]	3:4:1:	4:3:3:1:	4:4:3:	N[5,5]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]CH)(N[5]N[5,5]H)(COO)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(N[5]C[5]H)	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]CH)(N[5]N[5,5]H)(COO)(H){1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(N[5]C[5]H){2|C<3>,2|O<2>,4|H<1>}	108.1920	0.000	1	108.1920	0.000	1	108.1920	0.000	1	108.1920	0.000	1	108.1920	0.000	1	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5,6,6]	3:4:4:	4:3:1:1:	4:4:3:	N[5,6,6]-3:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-3:	N[5](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(SC[6a]OO)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]N[5,6,6]S)(H)2	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S)	N[5](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]N[5,6,6]S)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S){1|C<4>,3|C<3>,3|H<1>}	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5,6]	3:4:3:	4:3:1:1:	3:4:3:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)	N[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O){2|H<1>,4|C<3>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C){4|C<3>,5|H<1>}	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	110.8709	2.528	8	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5,6]	3:4:3:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|C<4>,5|H<1>}	109.7990	0.000	1	109.7990	0.000	1	110.3953	0.304	3	110.3953	0.304	3	110.8709	2.528	8	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5,6]	3:4:3:	4:3:1:1:	4:4:3:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<2>,2|C<3>,5|H<1>}	110.6935	0.274	2	110.6935	0.075	2	110.3953	0.304	3	110.3953	0.304	3	110.8709	2.528	8	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5,6]	3:4:3:	4:3:3:1:	4:4:3:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(N[5]N[5,6]C)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CC[6a]O){1|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(N[5]N[5,6]C)(H){1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){4|C<3>,4|H<1>}	111.2300	0.000	1	111.2300	0.000	1	111.2300	0.000	1	111.2300	0.000	1	110.8709	2.528	8	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5,6]	3:4:3:	4:3:4:1:	4:4:3:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	114.1350	0.000	1	114.1350	0.000	1	112.9515	2.801	2	112.9515	2.801	2	110.8709	2.528	8	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5,6]	3:4:3:	4:3:4:1:	4:4:3:	N[5,6]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(CCHH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	111.7680	0.000	1	111.7680	0.000	1	112.9515	2.801	2	112.9515	2.801	2	110.8709	2.528	8	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5,6]	3:4:4:	4:3:3:1:	4:3:3:	N[5,6]-3:C[5]-4:S-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5](C[5]C[5,6]CN)(C[6a]C[6a]2)(N[5]N[5,6]S)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S)	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5](C[5]C[5,6]CN)(C[6a]C[6a]2)(N[5]N[5,6]S)(H){3|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	110.8709	2.528	8	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	3:4:2:	4:3:1:1:	4:3:3:	N[5]-3:C[5]-4:C-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:	N[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CN)	C[5](C[5]C[5,5]ClC)(N[5]N[5]C)(H)2	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CN){1|Cl<1>,5|C<3>}	C[5](C[5]C[5,5]ClC)(N[5]N[5]C)(H)2{3|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cl<1>,4|H<1>,7|C<3>}	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	107.6159	7.756	19	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	3:4:3:	4:3:4:1:	4:3:1:	N[5]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:N[5]-3:H-1:	N[5](N[5]C[5,5]H)(C[5]C[5]CH)(COO)	C[5](C[5]C[5,5]HH)(N[5]N[5]C)(CC[6a]HH)(H)	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)	N[5](N[5]C[5,5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]N[5]C)(CC[6a]HH)(H){1|H<1>,2|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	107.6159	7.756	19	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	3:4:4:	3:3:4:1:	3:3:2:	N[5]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:N[5]-2:	N[5](N[5]C[6a]N[5])(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(CCl3)(H)	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	N[5](N[5]C[6a]N[5])(C[5]C[5]CH)(CH3){3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(CCl3)(H){3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	104.1140	0.000	1	104.1140	0.000	1	104.1140	0.000	1	104.1140	0.000	1	107.6159	7.756	19	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	4:3:1:	4:3:4:1:	3:3:3:	C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO)	N[5](C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]H)(CCO){1|C<4>,3|H<1>}	104.4290	0.000	1	104.4290	0.000	1	104.4290	0.000	1	104.4290	0.000	1	107.6159	7.756	19	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	3:3:1:1:	3:3:1:	C[5]-4:N[5]-3:C-3:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:	N[5](C[5]N[5]HH)(N[5]C[5]H)(CCO)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)2	N[5](C[5]N[5]S)(N[5]C[5]C)(H)	N[5](C[5]N[5]HH)(N[5]C[5]H)(CCO){1|C<3>,1|S<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)2{1|H<1>,1|S<1>,2|C<3>}	N[5](C[5]N[5]S)(N[5]C[5]C)(H){1|C<3>,2|H<1>}	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	107.6159	7.756	19	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	3:3:2:3:	3:3:3:	C[5]-4:N[5]-3:C-3:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO){4|C<3>}	108.2740	0.000	1	108.2740	0.000	1	108.2740	0.000	1	108.2740	0.000	1	107.6159	7.756	19	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:N[5]-3:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]C)(H)	N[5](C[5]C[5]H)(N[5]C[5]C)(COO)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]C)(H){3|C<3>,3|H<1>}	N[5](C[5]C[5]H)(N[5]C[5]C)(COO){1|H<1>,2|C<3>}	107.4793	0.108	3	107.4793	0.012	3	107.4793	0.012	3	107.4793	0.012	3	107.6159	7.756	19	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(H){3|C<3>,3|H<1>}	105.5670	0.000	1	105.5670	0.000	1	105.5670	0.000	1	105.5670	0.000	1	107.6159	7.756	19	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-3:	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)(H)	N[5](C[5]C[5]C)(N[5]C[5]C)(COO)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){2|C<4>}	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)(H){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(N[5]C[5]C)(COO){1|H<1>,2|C<4>}	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	107.6159	7.756	19	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:C-3:	C[3,5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:	N[5](C[5]C[3,5,5]HH)(N[5]C[5,5]H)(CC[6a]O)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]N[5]C)(H)2	N[5](C[5,5]C[3,5,5]C[5]C)(N[5]C[5]C)(H)	N[5](C[5]C[3,5,5]HH)(N[5]C[5,5]H)(CC[6a]O){4|C<4>}	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]N[5]C)(H)2{1|Si<4>,3|C<4>,3|H<1>}	N[5](C[5,5]C[3,5,5]C[5]C)(N[5]C[5]C)(H){3|C<4>,4|H<1>}	112.4830	0.000	1	112.4830	0.000	1	112.4830	0.000	1	112.4830	0.000	1	107.6159	7.756	19	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){4|H<1>}	105.2580	0.279	2	105.2580	0.078	2	108.3605	12.886	4	108.3605	12.886	4	107.6159	7.756	19	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:3:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,2|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O){4|H<1>}	111.4630	0.281	2	111.4630	0.079	2	108.3605	12.886	4	108.3605	12.886	4	107.6159	7.756	19	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	4:3:3:	4:3:1:1:	4:3:4:	C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:S-4:	N[5](C[5]C[5]HH)(N[5]C[5]S)(COO)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(SC[6a]OO)	N[5](C[5]C[5]HH)(N[5]C[5]S)(COO){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|H<1>,1|S<4>}	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(SC[6a]OO){2|C<3>,4|H<1>}	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	107.6159	7.756	19	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	4:3:4:	3:4:3:1:	4:3:3:	C[5]-4:N[5]-3:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H)	N[5](C[5]C[5]HH)(N[5]C[5]S)(COO)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(SC[6a]OO){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]S)(H){3|C<3>,4|H<1>}	N[5](C[5]C[5]HH)(N[5]C[5]S)(COO){1|C<3>,3|H<1>}	107.6330	0.000	1	107.6330	0.000	1	107.6330	0.000	1	107.6330	0.000	1	107.6159	7.756	19	105.5900	10.132	108
542	474	542	5:SP3_SP3_SP3	N[5]	C[5]	N[5]	4:3:4:	4:3:1:1:	3:3:4:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<4>,1|O<1>}	N[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]2H){4|H<1>}	102.5560	0.000	1	102.5560	0.000	1	102.5560	0.000	1	102.5560	0.000	1	107.6159	7.756	19	105.5900	10.132	108
542	474	542	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	N[5,6]	4:3:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:N[5,6]-3:C-3:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-3:C-3:	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]C[6a]H)(N[5,6]N[5,6]C)(H)	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]C[6a]H)(N[5,6]N[5,6]C)(H){3|C<3>,7|H<1>}	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO){3|C<4>,3|H<1>}	107.3020	0.000	1	107.3020	0.000	1	104.9560	11.007	2	104.9560	11.007	2	104.9560	11.007	2	104.9560	11.007	2
542	474	542	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	N[5,6]	4:3:3:	4:4:3:1:	4:3:3:	C[5,5,6]-4:N[5,6]-3:C-3:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-3:C-3:	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]HH)(N[5,6]N[5,6]C)(H)	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO){3|C<4>,3|H<1>}	C[5,5,6](C[3,5,5]C[5,5,6]C[3]2)(C[5,6]C[5,6]HH)(N[5,6]N[5,6]C)(H){2|C<3>,6|H<1>}	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO){1|C<3>,2|H<1>,3|C<4>}	102.6100	0.000	1	102.6100	0.000	1	104.9560	11.007	2	104.9560	11.007	2	104.9560	11.007	2	104.9560	11.007	2
542	474	542	6:SP3_SP2_SP3	N[5,6]	C[5,6]	N[5,6]	4:3:4:	4:3:3:3:	3:4:3:	C[5,6]-4:N[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5,5]-4:C[6]-3:	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,5]C[6])(C[5]C[5]CH)	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O)	N[5,6](N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(C[6]N[6]S)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,5]C[6])(C[5]C[5]CH){1|O<1>,1|S<1>,2|H<1>,2|N<3>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,3|H<1>,6|C<3>}	N[5,6](N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(C[6]N[6]S){1|C<4>,2|O<1>,4|H<1>,5|C<3>}	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1
542	474	542	6:SP3_SP3_SP3	N[5,5,6]	C[5,6]	N[5,6]	4:4:3:	3:3:3:2:	3:4:4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:	N[5,5,6]-3:C[6]-3:C[6a]-3:O[5]-2:	N[5,5,6]-3:C[5,5]-4:C[5,6]-4:	N[5,5,6](C[5,5]C[5,5]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])(N[5,6]C[5,5]C[5,6])	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	N[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[5]H)	N[5,5,6](C[5,5]C[5,5]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])(N[5,6]C[5,5]C[5,6]){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	N[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	106.7250	0.000	1	106.7250	0.000	1	106.7250	0.000	1	106.7250	0.000	1	106.7250	0.000	1	108.0635	3.583	2
542	474	542	6:SP3_SP3_SP3	N[5,6]	C[5,6]	N[5,5,6]	3:4:4:	3:3:4:1:	4:4:3:	N[5,5,6]-3:C[5,5]-4:C[5,6]-4:	N[5,6]-3:C[5,6]-3:C[5]-4:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:	N[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[5]H)	C[5,6](N[5,6]N[5,5,6]C[5,5])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,5,6](C[5,5]C[5,5]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])(N[5,6]C[5,5]C[5,6])	N[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6](N[5,6]N[5,5,6]C[5,5])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	N[5,5,6](C[5,5]C[5,5]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])(N[5,6]C[5,5]C[5,6]){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	108.0635	3.583	2
542	474	562	0:SP2_SP3_SP3	N[5,5]	C[5,5]	Si[5]	4:4:3:	3:4:4:1:	3:3:3:3:	C[5,5]-4:Si[5]-4:C[5,5]-3:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,6]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	N[5,5](C[5,5]C[5,5]C[5]H)(Si[5]N[5,6]C[6a]2)(C[5,5]C[5,6]C[5])	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	Si[5](N[5,6]C[5,6]C[6])(N[5,5]C[5,5]2)(C[6a]C[6a]2)2	N[5,5](C[5,5]C[5,5]C[5]H)(Si[5]N[5,6]C[6a]2)(C[5,5]C[5,6]C[5]){2|C<4>,5|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,3|C<3>,6|H<1>}	Si[5](N[5,6]C[5,6]C[6])(N[5,5]C[5,5]2)(C[6a]C[6a]2)2{2|H<1>,6|C<3>,7|C<4>}	134.4770	2.285	3	134.4770	5.220	3	134.4770	5.220	3	134.4770	5.220	3	134.4770	5.220	3	134.4770	5.220	3
542	474	562	0:SP3_SP3_SP3	N[5,5]	C[5,5]	Si[5]	4:3:4:	3:4:4:1:	3:3:4:4:	C[5,5]-4:C[5,5]-3:Si[5]-4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,6]-3:N[5,5]-3:C-4:C-4:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,6]C[5])(Si[5]N[5,6]CC)	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	Si[5](N[5,6]C[5,6]C[6])(N[5,5]C[5,5]2)(CC3)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,6]C[5])(Si[5]N[5,6]CC){2|C<3>,2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,5]Si[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	Si[5](N[5,6]C[5,6]C[6])(N[5,5]C[5,5]2)(CC3)2{2|C<3>,2|H<1>,3|C<4>}	136.0210	0.000	1	136.0210	0.000	1	136.0210	0.000	1	136.0210	0.000	1	136.0210	0.000	1	136.0210	0.000	1
542	474	562	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	Si[5,5,6]	4:4:3:	3:3:2:1:	3:3:2:2:	Si[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	N[5,5]-3:C[5,6]-3:S[5,6]-2:H-1:	N[5,5]-3:N[5,6]-3:S[5,6]-2:N-2:	N[5,5](Si[5,5,6]N[5,6]S[5,6]N)(C[5,5,6]C[5,6]S[5,6]H)(C[6a]C[6a]2)	C[5,5,6](N[5,5]Si[5,5,6]C[6a])(C[5,6]N[5,6]H)(S[5,6]S[5,6])(H)	Si[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(S[5,6]S[5,6])(NC[6a])	N[5,5](Si[5,5,6]N[5,6]S[5,6]N)(C[5,5,6]C[5,6]S[5,6]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[5,5,6](N[5,5]Si[5,5,6]C[6a])(C[5,6]N[5,6]H)(S[5,6]S[5,6])(H){1|N<2>,3|C<3>}	Si[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(S[5,6]S[5,6])(NC[6a]){2|H<1>,4|C<3>}	105.8520	0.000	1	105.8520	0.000	1	105.8520	0.000	1	105.8520	0.000	1	105.8520	0.000	1	110.8584	4.003	9
542	474	562	5:SP2_SP3_SP3	N[5]	C[5]	Si[5,5]	4:4:4:	3:4:1:1:	3:3:3:3:	Si[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](Si[5,5]N[5]3)(C[5]C[5]HH)(CC3)	C[5](N[5]Si[5,5]C)(C[5]N[5]CH)(H)2	Si[5,5](N[5]C[3x6]N[5])2(N[5]C[5]C)2	N[5](Si[5,5]N[5]3)(C[5]C[5]HH)(CC3){1|H<1>,2|N<2>,4|C<4>}	C[5](N[5]Si[5,5]C)(C[5]N[5]CH)(H)2{1|C<4>,2|N<3>}	Si[5,5](N[5]C[3x6]N[5])2(N[5]C[5]C)2{3|H<1>,7|C<4>}	110.6790	0.000	1	110.6790	0.000	1	110.6790	0.000	1	110.6790	0.000	1	110.5685	0.024	2	110.8584	4.003	9
542	474	562	5:SP2_SP3_SP3	N[5]	C[5]	Si[5,5]	4:4:4:	3:4:4:1:	3:3:3:3:	Si[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](Si[5,5]N[5]3)(C[5]C[5]CH)(CC3)	C[5](N[5]Si[5,5]C)(C[5]N[5]HH)(CC3)(H)	Si[5,5](N[5]C[3x6]N[5])2(N[5]C[5]C)2	N[5](Si[5,5]N[5]3)(C[5]C[5]CH)(CC3){2|H<1>,2|N<2>,3|C<4>}	C[5](N[5]Si[5,5]C)(C[5]N[5]HH)(CC3)(H){1|C<4>,2|N<3>}	Si[5,5](N[5]C[3x6]N[5])2(N[5]C[5]C)2{3|H<1>,7|C<4>}	110.4580	0.000	1	110.4580	0.000	1	110.4580	0.000	1	110.4580	0.000	1	110.5685	0.024	2	110.8584	4.003	9
542	474	562	5:SP2_SP3_SP3	N[5]	C[5]	Si[5]	4:3:4:	3:4:1:1:	3:3:3:1:	Si[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:C[6a]-3:H-1:	N[5](Si[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	Si[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	N[5](Si[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	Si[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H){6|C<3>,6|H<1>}	112.2390	0.462	2	112.2390	0.214	2	112.2390	0.214	2	112.2390	0.214	2	111.7895	0.313	6	110.8584	4.003	9
542	474	562	5:SP2_SP3_SP3	N[5]	C[5]	Si[5]	4:3:4:	3:4:1:1:	4:3:3:4:	Si[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	Si[6]-4:N[5]-3:N[5]-3:C-4:	N[5](Si[5]Si[6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	Si[5](Si[6]N[6]O[6]C)(N[5]C[6a]C[5])2(CH3)	N[5](Si[5]Si[6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|Si<4>,1|C<4>,3|C<3>}	Si[5](Si[6]N[6]O[6]C)(N[5]C[6a]C[5])2(CH3){1|C<4>,4|H<1>,6|C<3>}	111.5015	0.818	2	111.5015	0.669	2	111.5015	0.669	2	111.5015	0.669	2	111.7895	0.313	6	110.8584	4.003	9
542	474	562	5:SP2_SP3_SP3	N[5]	C[5]	Si[5]	4:3:4:	3:4:1:1:	5:3:3:4:	Si[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	Si[5,6]-5:N[5]-3:N[5]-3:C-4:	N[5](Si[5]Si[5,6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	Si[5](Si[5,6]N[5,6]O[5]O[6]C)(N[5]C[6a]C[5])2(CH3)	N[5](Si[5]Si[5,6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|Si<5>,1|C<4>,3|C<3>}	Si[5](Si[5,6]N[5,6]O[5]O[6]C)(N[5]C[6a]C[5])2(CH3){4|H<1>,8|C<3>}	111.6280	0.246	2	111.6280	0.061	2	111.6280	0.061	2	111.6280	0.061	2	111.7895	0.313	6	110.8584	4.003	9
542	474	562	5:SP3_SP3_SP3	N[5]	C[5]	Si[5]	4:4:3:	4:3:3:1:	3:2:4:4:	C[5]-4:Si[5]-4:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[6a]C[5]H)(Si[5]O[5]CC)(C[6a]C[6a]2)	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H)	Si[5](N[5]C[6a]C[5])(O[5]C[5])(CC3)2	N[5](C[5]C[6a]C[5]H)(Si[5]O[5]CC)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	Si[5](N[5]C[6a]C[5])(O[5]C[5])(CC3)2{2|H<1>,4|C<3>}	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	109.2500	1.813	4	109.2500	1.813	4
542	474	562	5:SP3_SP3_SP3	N[5]	C[5]	Si[5]	4:4:4:	3:4:1:1:	3:3:1:1:	Si[5]-4:C[5]-4:Si-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:Cl-1:Cl-1:	N[5](Si[5]N[5]Cl2)(C[5]C[5]HH)(SiC3)	C[5](N[5]Si[5]Si)(C[5]N[5]HH)(H)2	Si[5](N[5]C[5]Si)2(Cl)2	N[5](Si[5]N[5]Cl2)(C[5]C[5]HH)(SiC3){1|Si<4>,2|H<1>}	C[5](N[5]Si[5]Si)(C[5]N[5]HH)(H)2{1|Si<4>,2|Cl<1>}	Si[5](N[5]C[5]Si)2(Cl)2{4|H<1>}	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	109.2500	1.813	4	109.2500	1.813	4
542	474	562	5:SP3_SP3_SP3	N[5]	C[5]	Si[5]	4:4:4:	4:3:4:1:	3:3:2:1:	Si[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:O-2:H-1:	N[5](Si[5]N[5]HO)(C[5]C[5]CH)(CC3)	C[5](C[5]N[5]CH)(N[5]Si[5]C)(CH3)(H)	Si[5](N[5]C[5]C)2(OSi[5])(H)	N[5](Si[5]N[5]HO)(C[5]C[5]CH)(CC3){1|H<1>,2|C<4>}	C[5](C[5]N[5]CH)(N[5]Si[5]C)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	Si[5](N[5]C[5]C)2(OSi[5])(H){2|C<4>,2|H<1>}	110.1005	0.288	2	110.1005	0.083	2	110.1005	0.083	2	110.1005	0.083	2	109.2500	1.813	4	109.2500	1.813	4
542	474	578	5:SP2_SP3_SPD6	N[5,6]	C[5]	Ga[3x5,6,6]	6:4:3:	3:4:1:1:	3:3:4:4:2:2:	Ga[3x5,6,6]-6:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[5,5]-4:N[5,5]-4:O[6]-2:O[6]-2:	N[5,6](Ga[3x5,6,6]N[5,5]2N[5,6]O[6]2)(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2	Ga[3x5,6,6](N[5,6]C[5]C[6])2(N[5,5]C[5]2H)2(O[6]C[6])2	N[5,6](Ga[3x5,6,6]N[5,5]2N[5,6]O[6]2)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,4|C<4>,5|H<1>}	C[5](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|N<4>,2|C<4>,2|O<2>}	Ga[3x5,6,6](N[5,6]C[5]C[6])2(N[5,5]C[5]2H)2(O[6]C[6])2{12|H<1>,2|C<3>,4|C<4>}	115.8830	0.000	1	115.8830	0.000	1	115.8830	0.000	1	115.8830	0.000	1	115.8830	0.000	1	115.8830	0.000	1
542	474	578	5:SP3_SP3_SPD6	N[5,5]	C[5]	Ga[5x5]	6:4:4:	3:3:1:1:	3:3:4:3:2:2:	Ga[5x5]-6:C[5]-4:C[5]-4:	C[5,6]-3:N[5,5]-3:H-1:H-1:	N[5,5,6]-3:N[5,5,6]-3:N[5,5]-4:N[5,5]-3:O[5]-2:O[5]-2:	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)	C[5](C[5,6]N[5,5,6]C[6])(N[5,5]Ga[5x5]C[5])(H)2	Ga[5x5](N[5,5,6]C[5,6]2)2(N[5,5]C[5]2H)(N[5,5]C[5]2)(O[5]C[5])2	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6]N[5,5,6]C[6])(N[5,5]Ga[5x5]C[5])(H)2{1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	Ga[5x5](N[5,5,6]C[5,6]2)2(N[5,5]C[5]2H)(N[5,5]C[5]2)(O[5]C[5])2{2|O<1>,4|C<3>,8|H<1>}	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	108.3610	4.712	2	112.6917	26.707	4
542	474	578	5:SP3_SP3_SPD6	N[5,5]	C[5]	Ga[5x5]	6:4:4:	3:4:1:1:	3:3:4:3:2:2:	Ga[5x5]-6:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5,6]-3:N[5,5,6]-3:N[5,5]-4:N[5,5]-3:O[5]-2:O[5]-2:	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)	C[5](N[5,5]Ga[5x5]C[5])(C[5]N[5,5]HH)(H)2	Ga[5x5](N[5,5,6]C[5,6]2)2(N[5,5]C[5]2H)(N[5,5]C[5]2)(O[5]C[5])2	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH){1|C<4>,3|H<1>,6|C<3>}	C[5](N[5,5]Ga[5x5]C[5])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,2|O<2>,3|H<1>}	Ga[5x5](N[5,5,6]C[5,6]2)2(N[5,5]C[5]2H)(N[5,5]C[5]2)(O[5]C[5])2{2|O<1>,4|C<3>,8|H<1>}	106.8260	0.000	1	106.8260	0.000	1	106.8260	0.000	1	106.8260	0.000	1	108.3610	4.712	2	112.6917	26.707	4
542	474	578	5:SP3_SP3_SPD6	N[5,6]	C[5]	Ga[5,5,6,6]	6:4:4:	3:3:1:1:	3:3:3:3:2:2:	Ga[5,5,6,6]-6:S[6]-4:C[5]-4:	N[5,6]-3:C[5,6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:	N[5,6](Ga[5,5,6,6]N[5,6]3O[6]2)(S[6]C[6,6a]OO)(C[5]C[5,6]HH)	C[5](N[5,6]Ga[5,5,6,6]S[6])(C[5,6]N[5,6]C[6])(H)2	Ga[5,5,6,6](N[5,6]C[5,6]C[6])2(N[5,6]C[5]S[6])2(O[6]C[6,6a])2	N[5,6](Ga[5,5,6,6]N[5,6]3O[6]2)(S[6]C[6,6a]OO)(C[5]C[5,6]HH){1|C<4>,1|S<4>,7|C<3>}	C[5](N[5,6]Ga[5,5,6,6]S[6])(C[5,6]N[5,6]C[6])(H)2{1|H<1>,2|N<3>,2|O<1>,2|O<2>,3|C<3>}	Ga[5,5,6,6](N[5,6]C[5,6]C[6])2(N[5,6]C[5]S[6])2(O[6]C[6,6a])2{4|O<1>,6|H<1>,8|C<3>}	117.0225	0.622	2	117.0225	0.386	2	117.0225	0.386	2	117.0225	0.386	2	117.0225	0.386	2	112.6917	26.707	4
542	474	610	0:SP2_SP3_SP3	N[5]	C[5,5]	B	4:2:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:N[5]-2:B-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(BC[5]HH)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]N[5]B)(H)	B(N[5]C[5,5]N[5])(C[5]N[5]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(BC[5]HH){1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]N[5]B)(H){1|O<1>,2|H<1>}	B(N[5]C[5,5]N[5])(C[5]N[5]2)(H)2	122.0740	0.000	1	122.0740	0.000	1	122.0740	0.000	1	122.0740	0.000	1	122.0740	0.000	1	118.7377	8.411	3
542	474	610	0:SP2_SP3_SP3	N[5]	C[5]	B	4:3:4:	4:3:1:1:	3:3:2:1:	C[5]-4:C[5]-3:B-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-2:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]S)(BN[5]HH)	C[5](C[5]S[5]HH)(N[5]C[5]B)(H)2	B(N[5]C[5]2)2(HAg)(H)	N[5](C[5]C[5]HH)(C[5]S[5]S)(BN[5]HH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]B)(H)2{1|S<2>}	B(N[5]C[5]2)2(HAg)(H)	117.0695	0.353	2	117.0695	0.125	2	117.0695	0.125	2	117.0695	0.125	2	117.0695	0.125	2	118.7377	8.411	3
542	474	618	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	B[6]	4:3:2:	3:4:3:4:	3:3:3:	C[5,6,6]-4:B[6]-3:N[5]-2:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6](C[5,6,6]C[5,6]C[6,6]C)(B[6]C[6,6a]C[5])(N[5]B[5])	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2)	N[5,6](C[5,6,6]C[5,6]C[6,6]C)(B[6]C[6,6a]C[5])(N[5]B[5]){1|H<1>,2|N<3>,5|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){2|C<4>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2){1|B<3>,4|C<4>,6|C<3>}	120.0400	0.000	1	120.0400	0.000	1	120.0400	0.000	1	120.0400	0.000	1	123.0257	7.062	3	123.0257	7.062	3
542	474	618	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	B[6]	4:3:3:	3:4:3:4:	3:3:2:	C[5,6,6]-4:B[6]-3:N[5]-3:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[6,6a]-3:N[5,6]-3:O-2:	N[5,6](C[5,6,6]C[5,6]C[6,6]C)(B[6]C[6,6a]O)(N[5]B[5]H)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(OH)	N[5,6](C[5,6,6]C[5,6]C[6,6]C)(B[6]C[6,6a]O)(N[5]B[5]H){1|H<1>,5|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(OH){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	125.1320	0.000	1	125.1320	0.000	1	125.1320	0.000	1	125.1320	0.000	1	123.0257	7.062	3	123.0257	7.062	3
542	474	618	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	B[6]	4:3:3:	3:4:3:4:	3:3:3:	C[5,6,6]-4:B[6]-3:N[5]-3:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6](C[5,6,6]C[5,6]C[6,6]C)(B[6]C[6,6a]C[5])(N[5]B[5]H)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2)	N[5,6](C[5,6,6]C[5,6]C[6,6]C)(B[6]C[6,6a]C[5])(N[5]B[5]H){1|H<1>,2|N<3>,5|C<3>}	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){1|H<1>,2|C<4>,5|C<3>}	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(C[5]N[5]2){1|B<3>,1|H<1>,4|C<4>,6|C<3>}	123.9050	0.000	1	123.9050	0.000	1	123.9050	0.000	1	123.9050	0.000	1	123.0257	7.062	3	123.0257	7.062	3
542	474	622	6:SP3_SP3_SP3	N[5,6,6]	C[5,3x6]	O[6,6]	4:2:3:	3:3:3:4:	3:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[5,6,6]-3:C[5]-4:	N[5,6,6]-3:C[3x6]-4:	N[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(O[6,6]C[3x6])(C[5]C[5]O)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[5,6,6]O[6,6]C[5])(C[5]C[5]HH)	O[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C)	N[5,6,6](C[5,3x6]C[6,6,6a]2C[5])(O[6,6]C[3x6])(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[5,6,6]O[6,6]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	O[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2C){1|O<1>,2|C<4>,4|C<3>}	116.3600	0.000	1	116.3600	0.000	1	116.3600	0.000	1	116.3600	0.000	1	116.3600	0.000	1	107.6017	14.392	9
542	474	622	6:SP3_SP3_SP3	N[5,6]	C[5,5,6]	O[6]	4:2:2:	4:3:4:4:	3:4:	C[5,5,6]-4:O[5]-2:O[6]-2:	C[5,6]-4:N[5,6]-3:C[5,5]-4:C-4:	N[5,6]-3:C[6]-4:	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5])(O[6]C[6])	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,6]O[5]O[6])(C[5,5]C[5]2H)(CH3)	O[6](N[5,6]C[5,5,6]O[5])(C[6]C[5,6]HO)	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5])(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a]H)(N[5,6]O[5]O[6])(C[5,5]C[5]2H)(CH3){1|C<4>,2|C<3>,5|H<1>}	O[6](N[5,6]C[5,5,6]O[5])(C[6]C[5,6]HO){1|H<1>,5|C<4>}	111.1280	0.000	1	111.1280	0.000	1	111.1280	0.000	1	111.1280	0.000	1	111.1280	0.000	1	107.6017	14.392	9
542	474	622	6:SP3_SP3_SP3	N[5,6]	C[5,6,6]	O[6]	4:2:2:	3:3:4:4:	3:4:	C[5,6,6]-4:O[5]-2:O[6]-2:	N[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(O[5]C[5])(O[6]C[6])	C[5,6,6](N[5,6]O[5]O[6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH)	O[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(O[5]C[5])(O[6]C[6]){2|C<3>,2|C<4>,7|H<1>}	C[5,6,6](N[5,6]O[5]O[6])(C[6,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	O[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH){1|C<3>,4|C<4>}	105.8800	0.000	1	105.8800	0.000	1	105.8800	0.000	1	105.8800	0.000	1	106.5773	0.376	3	107.6017	14.392	9
542	474	622	6:SP3_SP3_SP3	N[5,6]	C[5,6,6]	O[6]	4:2:2:	4:4:3:1:	3:4:	C[5,6,6]-4:O[5]-2:O[6]-2:	C[3x6]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6]-4:	N[5,6](C[5,6,6]C[3x6]C[5,6]H)(O[5]C[5])(O[6]C[6])	C[5,6,6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]O[5]O[6])(H)	O[6](N[5,6]C[5,6,6]O[5])(C[6]C[3x6]CH)	N[5,6](C[5,6,6]C[3x6]C[5,6]H)(O[5]C[5])(O[6]C[6]){2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[3x6]C[3x6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]O[5]O[6])(H){1|C<3>,4|C<4>,5|H<1>}	O[6](N[5,6]C[5,6,6]O[5])(C[6]C[3x6]CH){1|H<1>,5|C<4>}	106.9260	0.151	2	106.9260	0.023	2	106.9260	0.023	2	106.9260	0.023	2	106.5773	0.376	3	107.6017	14.392	9
542	474	622	6:SP3_SP3_SP3	N[5,6]	C[5,6]	O[6]	4:2:2:	3:3:4:1:	3:4:	C[5,6]-4:O[5]-2:O[6]-2:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:	N[5,6](C[5,6]C[6,6a]C[5]H)(O[5]C[5])(O[6]C[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H)	O[6](N[5,6]C[5,6]O[5])(C[6]C[6,6a]CH)	N[5,6](C[5,6]C[6,6a]C[5]H)(O[5]C[5])(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](N[5,6]C[5,6]O[5])(C[6]C[6,6a]CH){1|H<1>,2|C<3>,2|C<4>}	105.1670	0.000	1	105.1670	0.000	1	105.0343	0.020	3	105.0343	0.020	3	105.2987	0.293	4	107.6017	14.392	9
542	474	622	6:SP3_SP3_SP3	N[5,6]	C[5,6]	O[6]	4:2:2:	3:3:4:1:	3:4:	C[5,6]-4:O[5]-2:O[6]-2:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:	N[5,6](C[5,6]C[6,6a]C[5]H)(O[5]C[5])(O[6]C[6])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H)	O[6](N[5,6]C[5,6]O[5])(C[6]C[6,6a]CH)	N[5,6](C[5,6]C[6,6a]C[5]H)(O[5]C[5])(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]O[5]O[6])(C[5]C[5]HH)(H){1|H<1>,2|C<4>,3|C<3>}	O[6](N[5,6]C[5,6]O[5])(C[6]C[6,6a]CH){1|H<1>,2|C<3>,2|C<4>}	104.9680	0.113	2	104.9680	0.013	2	105.0343	0.020	3	105.0343	0.020	3	105.2987	0.293	4	107.6017	14.392	9
542	474	622	6:SP3_SP3_SP3	N[5,6]	C[5,6]	O[6]	4:2:2:	4:3:4:1:	3:4:	C[5,6]-4:O[5]-2:O[6]-2:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:	N[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6])	C[5,6](C[6]C[6a]C[6]H)(N[5,6]O[5]O[6])(C[5]C[5]HN)(H)	O[6](N[5,6]C[5,6]O[5])(C[6]C[6]HO)	N[5,6](C[5,6]C[5]C[6]H)(O[5]C[5])(O[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[6]C[6a]C[6]H)(N[5,6]O[5]O[6])(C[5]C[5]HN)(H){1|C<4>,3|C<3>,3|H<1>}	O[6](N[5,6]C[5,6]O[5])(C[6]C[6]HO){3|C<4>,3|H<1>}	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	106.0920	0.000	1	105.2987	0.293	4	107.6017	14.392	9
542	474	643	0:SP2_SP2_SP3	N[5,5]	C[5,5,6]	C[6a]	4:4:3:	3:3:2:1:	3:3:3:	Si[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	N[5,5]-3:C[5,6]-3:S[5,6]-2:H-1:	N[5,5]-3:C[6a]-3:C[6a]-3:	N[5,5](Si[5,5,6]N[5,6]S[5,6]N)(C[5,5,6]C[5,6]S[5,6]H)(C[6a]C[6a]2)	C[5,5,6](N[5,5]Si[5,5,6]C[6a])(C[5,6]N[5,6]H)(S[5,6]S[5,6])(H)	C[6a](N[5,5]Si[5,5,6]C[5,5,6])(C[6a]C[6a]C)2	N[5,5](Si[5,5,6]N[5,6]S[5,6]N)(C[5,5,6]C[5,6]S[5,6]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[5,5,6](N[5,5]Si[5,5,6]C[6a])(C[5,6]N[5,6]H)(S[5,6]S[5,6])(H){1|N<2>,3|C<3>}	C[6a](N[5,5]Si[5,5,6]C[5,5,6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|S<2>,3|H<1>}	118.7770	0.000	1	118.7770	0.000	1	118.7770	0.000	1	118.7770	0.000	1	118.9778	3.321	11	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,5]	C[5,5,6]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	N[5,5]-3:C[6a]-3:C[6a]-3:	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H)	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H){2|H<1>,5|C<3>}	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	116.8215	0.581	2	116.8215	0.337	2	116.8215	0.337	2	116.8215	0.337	2	118.9778	3.321	11	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,5]	C[5,5,6]	C[6a]	4:4:3:	3:4:2:1:	3:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	N[5,5]-3:C[5,6]-4:S[5,6]-2:H-1:	N[5,5]-3:C[6a]-3:C[6a]-3:	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2)	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H)	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2){2|C<3>,6|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H){2|C<3>,3|H<1>}	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|S<2>,4|H<1>}	120.2183	0.604	6	120.2183	0.365	6	120.2183	0.365	6	120.2183	0.365	6	118.9778	3.321	11	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,5]	C[5,5,6]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[6a]-3:C[6a]-3:	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[6a])(H)	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[6a])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	117.5130	2.861	2	117.5130	8.185	2	117.5130	8.185	2	117.5130	8.185	2	118.9778	3.321	11	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,5]	C[5,5]	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	P[3,5,5]-3:C[5,5]-4:C[6a]-3:	N[5,5]-3:C[3,5,5]-4:C-3:H-1:	N[5,5]-3:C[6a]-3:C[6a]-3:	N[5,5](P[3,5,5]P[3,3,5]2)(C[5,5]C[3,5,5]CH)(C[6a]C[6a]2)	C[5,5](N[5,5]P[3,5,5]C[6a])(C[3,5,5]P[3,3,5]2O)(CHN)(H)	C[6a](N[5,5]P[3,5,5]C[5,5])(C[6a]C[6a]C)2	N[5,5](P[3,5,5]P[3,3,5]2)(C[5,5]C[3,5,5]CH)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>}	C[5,5](N[5,5]P[3,5,5]C[6a])(C[3,5,5]P[3,3,5]2O)(CHN)(H){2|C<3>}	C[6a](N[5,5]P[3,5,5]C[5,5])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|P<3>,3|H<1>}	122.9250	0.000	1	122.9250	0.000	1	122.9250	0.000	1	122.9250	0.000	1	122.9250	0.000	1	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:4:2:4:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,6]-4:S[5,5]-2:C-4:	N[5,6]-3:C[6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2)	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(S[5,5]C[5,5,6])(CH3)	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	N[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(S[5,5]C[5,5,6])(CH3){1|H<1>,1|O<1>,4|C<3>}	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	124.0430	0.000	1	124.0430	0.000	1	124.0430	0.000	1	124.0430	0.000	1	123.9730	0.010	2	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	N[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	N[5,6]-3:C[6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2)	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(H)	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,1|O<2>,6|H<1>}	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(H){1|H<1>,1|O<1>,2|C<3>}	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	123.9030	0.000	1	123.9030	0.000	1	123.9030	0.000	1	123.9030	0.000	1	123.9730	0.010	2	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5,5]	C[6,6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:O-2:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,6a]C[5]O)(OH)	C[6,6a](N[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,6a]C[5]O)(OH){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](N[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	123.1390	0.000	1	123.1390	0.000	1	122.8100	0.216	2	122.8100	0.216	2	122.8100	0.216	2	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5,5]	C[6,6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,5]-4:C[6,6a]-3:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:O-2:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2O)(OH)	C[6,6a](N[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2O)(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6a](N[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	122.4810	0.000	1	122.4810	0.000	1	122.8100	0.216	2	122.8100	0.216	2	122.8100	0.216	2	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:2:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]Cl)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]Cl){2|C<3>,2|C<4>,5|H<1>}	109.7580	0.000	1	109.7580	0.000	1	109.9735	0.132	4	109.9735	0.132	4	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:2:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	110.2500	0.286	2	110.2500	0.082	2	109.9735	0.132	4	109.9735	0.132	4	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:2:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	109.6360	0.000	1	109.6360	0.000	1	109.9735	0.132	4	109.9735	0.132	4	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:2:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:S[6a]-2:	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a])	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	126.7270	0.000	1	126.8965	0.057	2	126.8965	0.057	2	126.8965	0.057	2	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:S[6a]-2:	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a])	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	127.0660	0.000	1	126.8965	0.057	2	126.8965	0.057	2	126.8965	0.057	2	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]2H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5,6a]C[5])(C[5]S[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]2H){1|N<3>,4|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5,6a]C[5])(C[5]S[5]HH)(H){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	122.3035	0.401	2	122.3035	0.161	2	122.3035	0.161	2	122.3035	0.161	2	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	126.1785	0.754	2	126.1785	0.569	2	126.1785	0.569	2	126.1785	0.569	2	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	124.1250	0.000	1	124.1250	0.000	1	123.1355	1.958	2	123.1355	1.958	2	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Ga[6]N[5])(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Ga[6]N[5])(C[5]C[5]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]N[5]HH)(H)2{1|Ga<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.1460	0.000	1	122.1460	0.000	1	123.1355	1.958	2	123.1355	1.958	2	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH){4|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CCH)(H){4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	124.2550	0.000	1	124.2550	0.000	1	124.8155	0.628	2	124.8155	0.628	2	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH){1|N<2>,1|S<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CC[6a]O)(H){1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	125.3760	0.000	1	125.3760	0.000	1	124.8155	0.628	2	124.8155	0.628	2	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:3:4:	3:5:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	N[5,6]-3:Si[5]-5:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]Si[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]Si[5]HH){1|O<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(Si[5]O[5]CCO)(H)2{3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Si<5>,1|O<2>,2|C<3>,5|H<1>}	120.9750	0.000	1	120.9750	0.000	1	120.9750	0.000	1	120.9750	0.000	1	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	110.6820	0.000	1	110.6820	0.000	1	110.1680	0.523	6	110.3985	0.695	8	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	109.5150	0.000	1	109.5150	0.000	1	110.1680	0.523	6	110.3985	0.695	8	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	110.2028	0.800	4	110.2028	0.640	4	110.1680	0.523	6	110.3985	0.695	8	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	110.3930	0.000	1	110.3930	0.000	1	110.3930	0.000	1	110.3985	0.695	8	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	111.7870	0.000	1	111.7870	0.000	1	111.7870	0.000	1	110.3985	0.695	8	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	109.6800	0.000	1	110.0405	0.260	2	110.0405	0.260	2	110.0405	0.260	2	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	110.4010	0.000	1	110.0405	0.260	2	110.0405	0.260	2	110.0405	0.260	2	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]N[5,6]HH)	C[5](N[5,6]C[6,6a]C[5,6])(N[5,6]C[5,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]N[5,6]HH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5,6]C[6,6a]C[5,6])(N[5,6]C[5,6]C[6])(H)2{2|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,7|H<1>}	123.0280	0.000	1	123.0280	0.000	1	123.0280	0.000	1	123.0280	0.000	1	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[6a]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[6a]C[5]H){2|C<4>,4|C<3>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	123.9550	0.000	1	123.9550	0.000	1	125.0190	1.647	3	125.0190	1.647	3	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[6a]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[6a]C[5]H){1|N<3>,5|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	125.5510	1.263	2	125.5510	1.595	2	125.0190	1.647	3	125.0190	1.647	3	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	123.5610	0.000	1	123.5610	0.000	1	123.5610	0.000	1	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	121.5895	4.061	2	121.6360	10.782	6	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	121.6593	3.532	4	121.6360	10.782	6	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	124.7780	0.000	1	124.3347	1.529	4	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	123.6105	1.527	2	124.3347	1.529	4	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	125.3400	0.000	1	124.3347	1.529	4	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|H<1>,5|C<4>}	123.0480	0.000	1	123.0480	0.000	1	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<2>,2|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	124.3858	0.339	4	124.3858	0.115	4	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	123.5590	0.000	1	123.5590	0.000	1	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]HH){3|C<3>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	126.1790	0.157	2	126.1790	0.025	2	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	125.1540	0.223	2	125.1540	0.050	2	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	124.3480	0.000	1	124.3480	0.000	1	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	125.0300	0.000	1	124.4947	0.257	3	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	124.0230	0.000	1	124.4947	0.257	3	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	124.4310	0.000	1	124.4947	0.257	3	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	126.6920	0.000	1	126.6920	0.000	1	123.9398	4.803	25	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:P[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(P[5,6]N[6]O[5]S)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]P[5,6])(C[5]O[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]P[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(P[5,6]N[6]O[5]S)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5,6]C[6,6a]P[5,6])(C[5]O[5]HH)(H)2{1|N<3>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]P[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<1>,4|H<1>}	123.6580	0.000	1	123.6580	0.000	1	123.6580	0.000	1	123.9153	4.442	27	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH){3|H<1>,6|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	123.8760	0.799	2	123.8760	0.638	2	123.8760	0.638	2	123.8547	0.321	3	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:N[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(N[5]C[5]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[5]H){4|H<1>,7|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,2|O<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	123.8120	0.000	1	123.8120	0.000	1	123.8120	0.000	1	123.8547	0.321	3	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[6,6a,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]CH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	125.2420	0.000	1	125.2420	0.000	1	125.2420	0.000	1	125.2420	0.000	1	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C-4:C-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CF3)(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CF3)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	123.2430	0.000	2	123.2430	0.000	2	123.2430	0.000	2	123.2430	0.000	2	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C-4:C-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]Si[6]H)(C[5]C[5]CC)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]Si[6]H)(C[5]C[5]CC){2|H<1>,3|C<3>,4|C<4>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(CH3)2{1|Si<3>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|Si<3>,1|C<3>,3|H<1>,6|C<4>}	121.7100	0.000	1	121.7100	0.000	1	122.7185	2.034	2	122.7185	2.034	2	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C-4:C-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Si[6]C[5]H)(C[5]C[5]CC)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Si[6]C[5]H)(C[5]C[5]CC){2|H<1>,3|C<3>,4|C<4>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)2{1|Si<3>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|Si<3>,1|C<3>,3|H<1>,6|C<4>}	123.7270	0.000	1	123.7270	0.000	1	122.7185	2.034	2	122.7185	2.034	2	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	4:3:4:	3:3:1:1:	3:3:3:	B[5,6,6]-4:C[6,6a]-3:C[5]-4:	N[5,6]-3:C[5,6a]-3:H-1:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](B[5,6,6]C[5,6a]N[6,6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)	C[5](N[5,6]B[5,6,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[6,6a](N[5,6]B[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](B[5,6,6]C[5,6a]N[6,6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH){1|H<1>,2|C<4>,5|C<3>}	C[5](N[5,6]B[5,6,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](N[5,6]B[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	121.8610	0.000	1	121.8610	0.000	1	121.8610	0.000	1	121.8610	0.000	1	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H)	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH){2|C<4>,3|C<3>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|O<1>,6|C<4>}	126.1400	0.000	1	126.1400	0.000	1	126.1400	0.000	1	126.1400	0.000	1	120.9275	36.240	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[3x5,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:3:	C[3x5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[6a]C[6a]2)(C[5]C[5]O)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(N[5]C[6a]C[5])	C[6a](N[5]C[3x5,6]C[5])(C[6a]C[6a]H)2	N[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[6a]C[6a]2)(C[5]C[5]O){3|C<4>,4|C<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(N[5]C[6a]C[5]){1|C<4>,1|N<3>,2|H<1>,3|O<1>,4|C<3>}	C[6a](N[5]C[3x5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	120.8400	0.000	1	120.8400	0.000	1	120.8400	0.000	1	120.8400	0.000	1	120.8400	0.000	1	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5,6]	C[6a]	4:3:2:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[6a]-3:N[5]-2:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]N[5])(H)	C[6a](N[5]C[5,5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[6a]N[5])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](N[5]C[5,5,6]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	125.5020	0.000	1	125.5020	0.000	1	125.5020	0.000	1	125.5020	0.000	1	122.3393	10.533	3	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HO)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](N[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	122.4990	0.000	1	122.4990	0.000	1	122.4990	0.000	1	122.4990	0.000	1	122.3393	10.533	3	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[3x5,6]-4:C[5,6]-4:N[5]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(N[5]C[6a]C[5])(OO)	C[6a](N[5]C[5,5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,4|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(N[5]C[6a]C[5])(OO){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](N[5]C[5,5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	119.0170	0.000	1	119.0170	0.000	1	119.0170	0.000	1	119.0170	0.000	1	122.3393	10.533	3	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	3:4:3:	3:4:3:2:	3:3:3:	C[6a]-3:C[5,5]-4:C[5]-3:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[6,6a]-3:N[5]-3:C[6a]-3:	N[5](C[6a]C[6,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]O)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[6a](C[6,6a]C[6,6a]C[6])(N[5]C[5,5]C[5])(C[6a]C[6a]H)	N[5](C[6a]C[6,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[5]C[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,5|C<4>}	123.4200	0.000	1	123.4200	0.000	1	123.4200	0.000	1	123.4200	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H)	C[6a](N[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	N[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	122.0585	1.551	2	122.0585	2.405	2	122.0585	2.405	2	122.0585	2.405	2	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:3:2:2:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[5]-3:S[5]-2:S[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(S[5]C[5])2	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(S[5]C[5])2{1|O<1>,6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|S<2>}	125.8110	0.000	1	125.8110	0.000	1	124.8593	0.819	3	124.8593	0.819	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:3:2:2:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[5]-3:S[5]-2:S[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](N[5]C[6a]N[5])2(S[5]C[5])2	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,2|H<1>,5|C<3>}	C[5,5](N[5]C[6a]N[5])2(S[5]C[5])2{6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|S<2>}	124.3835	0.528	2	124.3835	0.279	2	124.8593	0.819	3	124.8593	0.819	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]N[5]C)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|H<1>,7|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]N[5]C){1|C<4>,6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	125.3700	0.000	1	125.3700	0.000	1	125.6915	0.207	2	125.6915	0.207	2	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]S[5]N)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|S<2>,2|H<1>,6|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]S[5]N){1|C<4>,5|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	126.0130	0.000	1	126.0130	0.000	1	125.6915	0.207	2	125.6915	0.207	2	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5a]-3:N[5]-3:C[5,5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]O[5])(C[5,5]C[5]2C)(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]O[5])(C[5,5]C[5]2C)(H){4|H<1>,5|C<3>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.7360	0.000	1	117.7360	0.000	1	117.7360	0.000	1	118.0410	0.186	2	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[5,5]C[5]2H)(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[5,5]C[5]2H)(H){4|C<3>,5|H<1>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.3460	0.000	1	118.3460	0.000	1	118.3460	0.000	1	118.0410	0.186	2	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	126.6880	0.000	1	126.6880	0.000	1	126.6880	0.000	1	127.1077	0.132	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]C)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,3|H<1>,7|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]C){7|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	127.3200	0.000	1	127.3200	0.000	1	127.3175	0.000	2	127.1077	0.132	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]S[5]N)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|S<2>,3|H<1>,6|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]S[5]N){6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	127.3150	0.000	1	127.3150	0.000	1	127.3175	0.000	2	127.1077	0.132	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:4:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:N[5]-3:C[5]-4:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]C[5]HH)(C[5]N[5]CC)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<2>,1|N<3>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]C[5]HH)(C[5]N[5]CC){6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	123.5570	0.000	1	123.5570	0.000	1	123.5570	0.000	1	123.5570	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-2:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]){1|H<1>,2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.7785	0.532	2	120.7785	0.284	2	120.7785	0.284	2	123.8666	10.885	5	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[5,5]-4:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	128.2200	0.000	1	128.2200	0.000	1	125.9253	5.734	3	123.8666	10.885	5	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[5,5]-4:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]N[5]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	124.7780	1.889	2	124.7780	3.570	2	125.9253	5.734	3	123.8666	10.885	5	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:4:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O){1|H<1>,8|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	122.8270	4.418	3	122.8270	19.521	3	122.8270	19.521	3	122.8270	19.521	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:4:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2C)(C[5]C[5]CH)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,3|H<1>,4|C<4>}	C[5,5](N[5]C[6a]N[5])(C[5,5]C[5]2C)(C[5]C[5]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	124.8820	0.000	1	124.8820	0.000	1	124.8820	0.000	1	124.8820	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:4:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[5]-4:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	129.1210	0.000	1	129.1210	0.000	1	129.1210	0.000	1	129.1210	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]O[5]O)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]O[5]O){1|Br<1>,6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	121.6960	0.000	1	121.6960	0.000	1	121.6960	0.000	1	121.6960	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	4:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5,5]HH)(C[5]C[5,5]O)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5,5]HH)(C[5]C[5,5]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	125.1780	0.000	1	125.1780	0.000	1	125.1780	0.000	1	125.1780	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	4:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6])	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|N<3>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	117.1203	17.429	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	4:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[6a]O[5])(H){1|H<1>,5|C<3>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	112.3820	0.000	1	112.3820	0.000	1	116.3200	31.016	2	117.1203	17.429	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	4:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[6a]O[5])(H){1|C<4>,5|C<3>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	120.2580	0.000	1	120.2580	0.000	1	116.3200	31.016	2	117.1203	17.429	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:2:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:S[5]-2:S[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(S[5]C[5])2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|H<1>,5|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(S[5]C[5])2{1|O<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|S<2>}	119.1350	0.000	1	119.1350	0.000	1	119.1350	0.000	1	119.1350	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])(N[5]S[5]H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,3|O<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	121.3230	0.000	1	121.3230	0.000	1	121.3230	0.000	1	121.4617	1.647	4	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]S[5]N)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|H<1>,7|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]S[5]N){1|C<4>,5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	119.7790	0.000	1	119.7790	0.000	1	119.7790	0.000	1	121.4617	1.647	4	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]O[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]O[5]O){2|O<1>,2|O<2>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	122.8370	0.000	1	122.8370	0.000	1	122.8370	0.000	1	121.4617	1.647	4	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:Ga[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H){1|Ga<3>,2|H<1>,5|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|Ga<3>,2|H<1>,5|C<3>}	121.9080	0.000	1	121.9080	0.000	1	121.9080	0.000	1	121.4617	1.647	4	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cl<1>,4|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC){1|C<2>,4|H<1>,6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	120.2650	0.000	1	120.2650	0.000	1	120.2650	0.000	1	120.2650	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|H<1>,1|O<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	124.8780	0.000	1	124.8780	0.000	1	122.6393	8.427	4	122.7404	6.372	5	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.6455	0.415	2	123.6455	0.172	2	122.6393	8.427	4	122.7404	6.372	5	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	118.3880	0.000	1	118.3880	0.000	1	122.6393	8.427	4	122.7404	6.372	5	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(O[5]C[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(O[5]C[5]){1|H<1>,2|O<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	123.1450	0.000	1	123.1450	0.000	1	123.1450	0.000	1	122.7404	6.372	5	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]S)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<3>,1|S<1>,3|H<1>,7|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]S){7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	122.2285	0.507	2	122.2285	0.257	2	122.2285	0.257	2	121.5775	7.072	6	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,5]C[5])(C[6a]C[6a]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	122.0980	0.373	2	122.0980	0.139	2	122.0980	0.139	2	121.5775	7.072	6	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){5|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]H){1|H<1>,2|O<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	124.3320	0.000	1	124.3320	0.000	1	124.3320	0.000	1	121.5775	7.072	6	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6]-4:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5,6]C[5,6a]2)(N[5]C[5,5,6]C)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,5,6]2H)(N[5]C[6a]N[5])	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5,6]C[5,6a]2)(N[5]C[5,5,6]C)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,5,6]2H)(N[5]C[6a]N[5]){1|C<2>,3|C<4>,4|H<1>,6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	116.4800	0.000	1	116.4800	0.000	1	116.4800	0.000	1	121.5775	7.072	6	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HO)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,1|O<2>,4|C<3>,7|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HO){1|O<1>,3|H<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	123.1630	0.000	1	123.1630	0.000	1	123.1630	0.000	1	123.1630	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:2:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-4:N[5]-2:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5])(O[5]C[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5])(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	123.1700	0.000	1	123.1700	0.000	1	123.1700	0.000	1	123.1700	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.3713	1.036	4	122.3713	1.073	4	119.9544	6.422	14	120.1527	6.553	15	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Ir){1|H<1>,2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Ir<6>,1|H<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.6120	1.451	4	117.6120	2.106	4	119.9544	6.422	14	120.1527	6.553	15	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){1|H<1>,2|C<4>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Rh<6>,1|H<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.9048	2.393	6	119.9048	5.724	6	119.9544	6.422	14	120.1527	6.553	15	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5,5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]S)	C[5,5](N[5]C[6a]C[5])(C[5,5]N[5]2C)(N[5]C[5]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]S){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5,5]N[5]2C)(N[5]C[5]H)(H){1|H<1>,2|S<1>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<1>,2|N<3>,3|H<1>}	122.9280	0.000	1	122.9280	0.000	1	122.9280	0.000	1	120.1527	6.553	15	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(OH)	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	123.1250	0.071	2	123.1250	0.005	2	123.1250	0.005	2	122.9526	0.590	8	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5,5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]S)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]S){4|H<1>,7|C<3>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|S<1>,3|H<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	121.5310	0.000	1	121.5310	0.000	1	121.5310	0.000	1	122.9526	0.590	8	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.3475	0.129	2	123.3475	0.017	2	123.3280	0.434	4	122.9526	0.590	8	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)(O[5]C[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.5070	0.000	1	122.5070	0.000	1	123.3280	0.434	4	122.9526	0.590	8	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(O[5]N[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(O[5]N[5]){1|C<4>,1|O<1>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	124.1100	0.000	1	124.1100	0.000	1	123.3280	0.434	4	122.9526	0.590	8	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-4:N[5]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,4|C<3>,5|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	122.5280	0.000	1	122.5280	0.000	1	122.5280	0.000	1	122.9526	0.590	8	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(NC[6a]H)	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(NC[6a]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.2940	0.000	1	121.2940	0.000	1	121.2940	0.000	1	123.6906	3.335	5	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[6a]C[5])(N[5]C[5,6a]C)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Br<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[6a]C[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	124.2897	1.433	4	124.2897	2.053	4	124.2897	2.053	4	123.6906	3.335	5	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]N[5,5]C)(C[6a]C[6a]2)(C[5]N[5]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]N[5,5]C)(C[6a]C[6a]2)(C[5]N[5]S){1|B<4>,1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3){1|C<4>,1|H<1>,1|S<1>,2|O<2>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|N<4>,1|S<1>,2|C<3>,2|H<1>}	125.7610	0.629	2	125.7610	0.396	2	125.7610	0.396	2	124.4917	5.032	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5,5]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]S)	C[5,5](N[5]C[6a]C[5])(C[5,5]N[5]2H)(N[5]C[5]H)(CH3)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]S){1|N<3>,3|C<3>,5|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5,5]N[5]2H)(N[5]C[5]H)(CH3){1|H<1>,2|S<1>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<3>}	121.9530	0.000	1	121.9530	0.000	1	121.9530	0.000	1	124.4917	5.032	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,4|C<3>,5|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	124.5330	0.000	1	124.5330	0.000	1	124.5330	0.000	1	124.5330	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-4:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)2(N[5]N[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|C<4>,6|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)2(N[5]N[5]){1|S<1>,2|C<3>,4|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<2>}	123.5510	0.000	1	123.5510	0.000	1	123.5510	0.000	1	124.9165	3.729	2	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[5]-4:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]O[5]O){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5]){1|O<1>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	126.2820	0.000	1	126.2820	0.000	1	126.2820	0.000	1	124.9165	3.729	2	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5,5]-4:C[5,5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]O[5]H)(C[5,5]N[5,5]S[5])(C[6a]C[6a]2)	C[5,5](C[5,5]N[5,5]C[5]H)(N[5]C[5,5]C[6a])(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5,5]2)	N[5](C[5,5]C[5,5]O[5]H)(C[5,5]N[5,5]S[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]N[5,5]C[5]H)(N[5]C[5,5]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5,5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<2>,3|H<1>}	121.9580	0.000	1	121.9580	0.000	1	121.9580	0.000	1	121.5691	2.799	11	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|H<1>,2|F<1>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.2640	0.000	1	121.2640	0.000	1	121.5302	3.091	10	121.5691	2.799	11	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[6a]C[5])(O[5]C[5])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(N[5]C[6a]C[5])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	122.1880	0.000	1	122.1880	0.000	1	121.5302	3.091	10	121.5691	2.799	11	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]P)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]P){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|P<3>,2|F<1>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<3>,3|H<1>}	120.2875	2.702	2	120.2875	7.300	2	121.5302	3.091	10	121.5691	2.799	11	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]S)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]S){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|S<2>,2|F<1>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<2>,3|H<1>}	122.5690	1.818	4	122.5690	3.305	4	121.5302	3.091	10	121.5691	2.799	11	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]Se)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]Se){1|B<3>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[6a]C[5])(O[5]B[5])(H){1|Se<1>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Se<1>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	120.4995	0.757	2	120.4995	0.574	2	121.5302	3.091	10	121.5691	2.799	11	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:2:4:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O[5]C[5,6])(CH3)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O[5]C[5,6])(CH3){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	122.2190	0.000	1	122.2190	0.000	1	122.1840	0.002	2	122.1840	0.002	2	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:2:4:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O[5]C[5,6])(CH3)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O[5]C[5,6])(CH3){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	122.1490	0.000	1	122.1490	0.000	1	122.1840	0.002	2	122.1840	0.002	2	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H){3|H<1>,7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	123.5380	0.000	1	123.5380	0.000	1	123.5380	0.000	1	122.6540	1.563	2	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]O)(C[6a]C[6a]2)	C[5,5](C[5,5]C[3,5]C[6a]O[5])(N[5]C[6a]C[5])(C[5]C[5]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[3,5]C[6a]O[5])(N[5]C[6a]C[5])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.7700	0.000	1	121.7700	0.000	1	121.7700	0.000	1	122.6540	1.563	2	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	123.0365	0.439	2	123.0365	0.193	2	123.0365	0.193	2	122.5867	0.703	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,9|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	121.6870	0.000	1	121.6870	0.000	1	121.6870	0.000	1	122.5867	0.703	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:N[5]-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[3x5]N)(C[5]C[3x5]O)(C[6a]C[6a]2)	C[5,5](C[3x5]C[3x5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NHH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[3x5]N)(C[5]C[3x5]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|S<2>,5|C<3>}	C[5,5](C[3x5]C[3x5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NHH){1|N<2>,1|N<3>,1|S<2>,2|C<4>,2|O<1>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.3765	1.283	2	123.3765	1.647	2	123.3765	1.647	2	123.2413	0.878	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]S){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,1|S<1>,3|H<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<1>,2|H<1>,3|C<3>}	122.9710	0.000	1	122.9710	0.000	1	122.9710	0.000	1	123.2413	0.878	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:3:4:4:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-4:N[5]-3:C[5]-4:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]O[5]O)	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	126.8060	0.000	1	126.8060	0.000	1	126.8060	0.000	1	126.8060	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5]-4:N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(N[5]C[6a]C[5])(C[5]C[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(N[5]C[6a]C[5])(C[5]C[5]O){1|O<1>,2|C<4>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	123.2945	1.374	2	123.2945	1.888	2	123.2945	1.888	2	123.2945	1.888	2	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:3:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){3|C<4>,3|H<1>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	124.4130	0.000	1	124.4130	0.000	1	124.7977	0.111	3	124.8836	1.114	5	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:3:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	124.9900	0.021	2	124.9900	0.000	2	124.7977	0.111	3	124.8836	1.114	5	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:3:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[5]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](N[5]C[6a]C[5])2(C[5]C[5]O)(O[5]C[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5,5](N[5]C[6a]C[5])2(C[5]C[5]O)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	125.0125	2.044	2	125.0125	4.179	2	125.0125	4.179	2	124.8836	1.114	5	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	122.1330	0.000	1	122.1330	0.000	1	122.1330	0.000	1	122.1330	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	120.9540	0.000	1	123.2873	2.694	4	123.2873	2.694	4	123.2873	2.694	4	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	124.7640	0.000	1	123.2873	2.694	4	123.2873	2.694	4	123.2873	2.694	4	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	123.7155	0.302	2	123.2873	2.694	4	123.2873	2.694	4	123.2873	2.694	4	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]HH)(C[5]N[5]N)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH){1|N<2>,1|N<3>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]HH)(C[5]N[5]N){1|C<4>,3|H<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	126.2490	0.000	1	126.2490	0.000	1	126.2490	0.000	1	126.2490	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:4:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]C[5]O)(O[5]C[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>,5|C<4>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]C[5]O)(O[5]C[5]){2|H<1>,3|C<3>,4|C<4>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	125.4620	0.000	1	125.4620	0.000	1	125.4620	0.000	1	125.4620	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:4:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6]-4:N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5,6a]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|H<1>,7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	124.3110	0.000	1	124.3110	0.000	1	124.3110	0.000	1	124.3110	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,6|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	122.6066	0.988	5	122.6066	0.976	5	122.5249	1.316	7	122.5249	1.316	7	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,6|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	123.7130	0.000	1	122.3205	3.878	2	122.5249	1.316	7	122.5249	1.316	7	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,6|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	120.9280	0.000	1	122.3205	3.878	2	122.5249	1.316	7	122.5249	1.316	7	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	4:3:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){4|H<1>,9|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	123.6310	0.000	1	123.6310	0.000	1	123.9995	0.272	2	123.9995	0.272	2	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	4:3:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<2>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<2>,5|H<1>,7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	124.3680	0.000	1	124.3680	0.000	1	123.9995	0.272	2	123.9995	0.272	2	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:4:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O){5|C<3>,5|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	121.4227	4.547	4	121.4227	20.679	4	120.3954	20.787	5	120.3954	20.787	5	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:4:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]O[5]CC)(C[5]N[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]O[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	116.2860	0.000	1	116.2860	0.000	1	120.3954	20.787	5	120.3954	20.787	5	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:4:3:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	116.5490	0.000	1	116.5490	0.000	1	119.8660	22.005	2	120.5130	12.258	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:4:3:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(C[5]N[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	123.1830	0.000	1	123.1830	0.000	1	119.8660	22.005	2	120.5130	12.258	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:4:3:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,1|S<4>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|S<4>,2|H<1>,7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	121.8070	0.000	1	121.8070	0.000	1	121.8070	0.000	1	120.5130	12.258	3	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5,6]C[6a])(C[5]N[5]O)(H)	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5,6]C[6a])(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	122.5960	0.000	1	122.5960	0.000	1	122.5960	0.000	1	122.5960	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:4:3:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	123.6590	0.000	1	123.6590	0.000	1	123.6590	0.000	1	123.6590	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,5]	C[6a]	4:4:3:	4:4:3:1:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[3x5,6]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[3x5,6]HH)(C[6a]C[6a]2)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[3x5,6]HH)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	123.0240	0.000	1	123.0240	0.000	1	123.0240	0.000	1	123.0240	0.000	1	122.5429	7.571	139	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	3:4:3:	3:4:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]C)	C[6a](N[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]C){1|H<1>,6|C<3>}	C[6a](N[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	123.8100	0.000	1	123.8100	0.000	1	123.9190	0.045	3	123.9190	0.045	3	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	3:4:3:	3:4:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](N[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,6|C<3>}	C[6a](N[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	123.9735	0.269	2	123.9735	0.073	2	123.9190	0.045	3	123.9190	0.045	3	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5,6]-4:C[5]-3:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	C[6a,6a]-3:N[5]-3:C[6a]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](N[5]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,3|C<3>,8|H<1>}	C[5,6](N[5]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	123.3815	0.086	2	123.3815	0.007	2	123.3815	0.007	2	123.3815	0.007	2	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir)	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5,6]C[5])	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Ir<6>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5,6]C[5]){1|Ir<6>,1|N<3>,3|C<3>,4|C<4>,4|H<1>}	118.0280	0.000	1	118.0280	0.000	1	118.0280	0.000	1	118.0280	0.000	1	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:2:	3:3:3:2:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5a,6]-3:N[5]-3:N[6]-3:S[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5a,6]N[6]S[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5]C[6a]N[5])(N[6]C[6]C)(S[5]C[5])	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5a,6]N[6]S[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5]C[6a]N[5])(N[6]C[6]C)(S[5]C[5]){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	124.7710	0.000	1	124.7710	0.000	1	124.7710	0.000	1	124.7710	0.000	1	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:2:	3:3:3:4:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6,6a]-3:C[6,6a]-3:N[5]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]HH)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]HH){2|H<1>,8|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	125.6910	0.000	1	125.6910	0.000	1	125.6910	0.000	1	125.6910	0.000	1	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:2:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	115.4025	0.779	2	116.8645	3.113	4	116.8645	3.113	4	116.8645	3.113	4	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:2:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.3265	0.429	2	116.8645	3.113	4	116.8645	3.113	4	116.8645	3.113	4	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-3:C[6]-3:C[6]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)2	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){5|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)2{2|C<4>,6|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	126.4680	0.000	1	126.4680	0.000	1	126.1840	0.161	2	124.9553	4.610	3	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-3:C[6]-3:C[6]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]N[6]O)2	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]N[6]O)2{1|Br<1>,2|H<1>,5|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	125.9000	0.000	1	125.9000	0.000	1	126.1840	0.161	2	124.9553	4.610	3	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-3:N[6]-3:C[6]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5]C[6]N[6])(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]N[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O){2|H<1>,9|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.4980	0.000	1	122.4980	0.000	1	122.4980	0.000	1	124.9553	4.610	3	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:2:	4:3:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-3:C[6]-4:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]N[5])(C[6]O[6]HO)(COO)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]N[5])(C[6]O[6]HO)(COO){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	127.3310	0.000	1	127.3310	0.000	1	127.3310	0.000	1	127.3310	0.000	1	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:2:	4:4:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6]-4:N[5]-3:C[6]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O){9|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	121.2270	0.000	1	121.2270	0.000	1	121.2270	0.000	1	121.2270	0.000	1	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:2:4:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	N[5]-3:O[5,6]-2:C[6]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5,6](N[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	124.0695	0.163	2	124.0695	0.027	2	124.0695	0.027	2	124.0695	0.027	2	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	122.3460	0.000	1	122.3460	0.000	1	122.3460	0.000	1	122.3460	0.000	1	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:2:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:N[6a]-2:C[6a]-3:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O){1|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|N<2>,1|O<1>,1|O<2>,3|H<1>,7|C<3>}	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	121.2147	1.160	4	121.2147	1.345	4	121.2147	1.345	4	121.2147	1.345	4	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:2:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[6a]-2:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O){1|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|N<2>,1|O<1>,1|O<2>,3|H<1>,7|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	121.7970	0.000	1	121.7970	0.000	1	121.7970	0.000	1	121.7970	0.000	1	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6a](C[6a]C[6a,6a]H)(N[5]C[5,6]C[5])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]H)(N[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	122.5650	0.000	1	122.5650	0.000	1	122.5650	0.000	1	123.6479	2.468	8	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	123.0640	0.000	1	123.0640	0.000	1	122.4620	0.291	3	123.6479	2.468	8	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	122.0210	0.000	1	122.0210	0.000	1	122.4620	0.291	3	123.6479	2.468	8	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	122.3010	0.000	1	122.3010	0.000	1	122.4620	0.291	3	123.6479	2.468	8	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-3:N[5]-3:N[6]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6a]N[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6a]N[6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|O<1>,7|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	125.6330	0.156	2	125.6330	0.024	2	125.6330	0.024	2	123.6479	2.468	8	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,1|N<2>,8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	122.7240	0.000	1	122.7240	0.000	1	122.7240	0.000	1	123.6479	2.468	8	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,6|H<1>,7|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	125.2420	0.000	1	125.2420	0.000	1	125.2420	0.000	1	123.6479	2.468	8	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6,6a]-3:N[5]-3:C[6]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[6]HH)(N[5]N[5])	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[6]HH)(N[5]N[5]){1|C<4>,1|S<1>,3|H<1>,4|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<1>,2|C<3>,2|H<1>,2|N<2>}	123.5310	0.000	1	123.5310	0.000	1	123.5310	0.000	1	123.1715	0.258	2	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6]-3:C[5]-4:O[6]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](N[5]C[6a]C[5])(C[6]N[5,6]N)(C[5]C[5]HH)(O[6]C[6])	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,6|H<1>}	C[5,6](N[5]C[6a]C[5])(C[6]N[5,6]N)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.8120	0.000	1	122.8120	0.000	1	122.8120	0.000	1	123.1715	0.258	2	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	116.9795	0.179	2	116.9795	0.032	2	116.9795	0.032	2	116.9795	0.032	2	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	N[5]-3:C[6]-4:C[6]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6]2O[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5])	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5](C[5,6]C[6]2O[5])(C[5]C[6]N[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<4>,5|C<3>}	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5]){1|N<3>,3|C<3>,4|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	121.4670	0.000	1	121.4670	0.000	1	121.4670	0.000	1	123.8027	4.198	3	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6]-4:C[6]-3:N[5]-2:	C[6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]BrH)(C[6]C[6]H)(N[5]C[5])	C[6a](C[6a]C[6a,6a]H)(N[5]C[5,6]C[5])(C[6a]C[6a]H)	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	C[5,6](N[5]C[6a]C[5])(C[6]C[6]BrH)(C[6]C[6]H)(N[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(N[5]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	125.2970	0.000	1	125.2970	0.000	1	125.2970	0.000	1	123.8027	4.198	3	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6]-4:C[6]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]BrH)(C[6]C[6]H)(N[5]C[5])	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	C[5,6](N[5]C[6a]C[5])(C[6]C[6]BrH)(C[6]C[6]H)(N[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	124.6440	0.000	1	124.6440	0.000	1	124.6440	0.000	1	123.8027	4.198	3	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:2:2:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:S[5]-2:	N[5]-3:N[6a]-2:N[6a]-2:	N[5](C[5,6]C[6]2S[5])(C[6a]N[6a]2)(C[5]C[5]O)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(S[5]C[5])	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a])2	N[5](C[5,6]C[6]2S[5])(C[6a]N[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(S[5]C[5]){1|C<4>,1|O<1>,2|N<2>,6|H<1>}	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a])2{1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	122.0510	0.000	1	122.0510	0.000	1	122.0510	0.000	1	122.0510	0.000	1	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(N[5]N[5])	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|C<4>,6|H<1>}	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<2>}	124.2660	0.000	1	124.2660	0.000	1	124.2660	0.000	1	124.5837	0.572	3	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]C[5])	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,3|C<4>,6|H<1>}	C[5,6](N[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	124.7425	0.996	2	124.7425	0.993	2	124.7425	0.993	2	124.5837	0.572	3	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6]OO)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,6]C[5,6]OO)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	123.2300	0.000	1	123.2300	0.000	1	123.2300	0.000	1	122.3125	3.855	4	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	120.5980	0.000	1	120.6885	0.016	2	122.0067	5.221	3	122.3125	3.855	4	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	120.7790	0.000	1	120.6885	0.016	2	122.0067	5.221	3	122.3125	3.855	4	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	124.6430	0.000	1	124.6430	0.000	1	122.0067	5.221	3	122.3125	3.855	4	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	4:3:4:2:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:N[5]-3:C[6]-4:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]O)(C[6a]C[6a]2)(C[5]S[5]S)	C[5,6](C[5,6]C[6]S[5]C)(N[5]C[6a]C[5])(C[6]C[6]HH)(OH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]O)(C[6a]C[6a]2)(C[5]S[5]S){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]S[5]C)(N[5]C[6a]C[5])(C[6]C[6]HH)(OH){1|C<4>,1|H<1>,1|O<1>,1|S<1>,3|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<1>,1|S<2>,2|C<4>,2|H<1>}	121.1620	0.000	1	121.1620	0.000	1	121.1620	0.000	1	121.1620	0.000	1	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:4:	3:3:4:4:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6,6a]-3:N[5]-3:C[6]-4:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,8|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	124.7020	0.000	1	124.7020	0.000	1	124.7020	0.000	1	124.7020	0.000	1	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	123.7783	1.615	6	123.7783	2.608	6	123.7846	1.864	8	123.7846	1.864	8	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	123.7410	0.000	1	123.7410	0.000	1	123.7846	1.864	8	123.7846	1.864	8	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H){1|N<3>,1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	123.8660	0.000	1	123.8660	0.000	1	123.7846	1.864	8	123.7846	1.864	8	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<2>,1|N<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,4|H<1>}	123.3560	0.000	1	123.3560	0.000	1	123.3560	0.000	1	123.3560	0.000	1	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:4:3:	3:3:2:1:	3:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.2560	0.000	1	120.2560	0.000	1	122.6550	11.510	2	122.6550	11.510	2	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:4:3:	3:3:2:1:	3:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]FF)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]FF)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|F<1>,3|H<1>}	125.0540	0.000	1	125.0540	0.000	1	122.6550	11.510	2	122.6550	11.510	2	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:4:3:	3:3:4:3:	3:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-3:N[5]-3:C[6]-4:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	123.7120	0.000	1	123.7120	0.000	1	123.7120	0.000	1	123.7120	0.000	1	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[3,3,6]C[5]C)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[3,3,6]C[5]C)(C[6a]C[6a]2){1|C<4>,2|O<2>,2|O<3>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<5>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<5>,2|C<3>,3|C<4>,3|H<1>}	118.0220	0.000	2	118.0220	0.000	2	120.0243	12.028	3	120.0243	12.028	3	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|N<2>,5|H<1>,6|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	124.0290	0.000	1	124.0290	0.000	1	120.0243	12.028	3	120.0243	12.028	3	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H)	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	121.3010	0.000	1	121.3010	0.000	1	121.3010	0.000	1	122.1075	1.301	2	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5,6]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]C[6a]C)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H){1|H<1>,6|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	122.9140	0.000	1	122.9140	0.000	1	122.9140	0.000	1	122.1075	1.301	2	122.5938	7.082	67	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:2:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|H<1>,1|N<2>,4|C<3>}	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3){3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.1250	0.000	1	122.1250	0.000	1	118.9870	9.268	3	118.9870	9.268	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:2:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|H<1>,1|N<3>,4|C<3>}	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3){3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>,4|C<4>}	116.0460	0.000	1	117.4180	3.765	2	118.9870	9.268	3	118.9870	9.268	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:2:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|H<1>,1|N<3>,4|C<3>}	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3){3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	118.7900	0.000	1	117.4180	3.765	2	118.9870	9.268	3	118.9870	9.268	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	B[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]B[5])(C[5]N[5]Cl)(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,2|C<4>,5|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]Cl)(H)2{4|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,4|H<1>}	117.3790	0.994	2	117.3790	0.988	2	117.3790	0.988	2	118.0100	1.689	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)2{4|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	119.2720	0.000	1	119.2720	0.000	1	119.2720	0.000	1	118.0100	1.689	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:3:2:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:O-2:H-1:	N[5]-3:N[6a]-2:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HO)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(OC)(H)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HO){1|H<1>,1|O<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(OC)(H){2|C<3>,2|N<2>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|O<2>,3|H<1>,4|C<3>}	120.7000	0.000	1	120.7000	0.000	1	120.7000	0.000	1	120.7000	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:C-3:N-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CN)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)(NCN)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CN){1|O<1>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)(NCN){4|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	125.1310	0.000	1	125.1310	0.000	1	125.1310	0.000	1	125.1310	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:C-4:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)(OH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO){1|O<1>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)(OH){4|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.9170	0.000	1	118.9170	0.000	1	118.9170	0.000	1	120.5890	5.591	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(OH){4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	122.2610	0.000	1	122.2610	0.000	1	122.2610	0.000	1	120.5890	5.591	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:3:4:3:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:C-4:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]O)(CH3)(COO)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]O)(CH3)(COO){2|C<3>,2|C<4>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	124.6580	0.000	1	124.6580	0.000	1	124.6580	0.000	1	124.6580	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[6a]-2:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|O<2>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,4|H<1>}	121.2730	0.000	1	121.2730	0.000	1	121.2730	0.000	1	121.2730	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5])(C[5]C[5]HH){1|S<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	117.9680	0.000	1	120.1432	8.389	4	120.1432	8.389	4	120.1432	8.389	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	117.3420	0.000	1	120.1432	8.389	4	120.1432	8.389	4	120.1432	8.389	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.6315	0.452	2	120.1432	8.389	4	120.1432	8.389	4	120.1432	8.389	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	B[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]B[3,3]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]B[3,3]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,2|C<4>,2|H<1>,2|H<2>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.3950	1.105	4	118.3950	1.222	4	118.3950	1.222	4	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]N[5,5]S[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5,5]S[5])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|S<2>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>,4|H<1>}	123.3780	0.236	2	123.3780	0.056	2	123.3780	0.056	2	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,3|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	121.5710	0.000	1	121.5710	0.000	1	120.1684	3.570	7	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|C<3>,4|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|N<2>,1|O<2>,3|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	120.3815	0.257	2	120.3815	0.066	2	120.1684	3.570	7	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{4|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.7570	0.000	1	117.7570	0.000	1	120.1684	3.570	7	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|Ga<4>,1|C<4>,2|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.2060	0.000	1	121.8135	0.738	2	120.1684	3.570	7	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|Ga<4>,3|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.4210	0.000	1	121.8135	0.738	2	120.1684	3.570	7	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]N[5,6]HH)(H)2{1|N<3>,3|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	117.4610	0.000	1	117.4610	0.000	1	120.1684	3.570	7	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){1|P<4>,3|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]P){1|C<4>,4|H<1>,5|C<3>}	120.6620	0.000	1	120.6620	0.000	1	120.6620	0.000	1	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	122.2240	0.000	1	122.2240	0.000	1	120.8407	2.091	7	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	119.8110	0.000	1	119.8110	0.000	1	120.8407	2.091	7	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	119.7030	0.000	1	119.7030	0.000	1	120.8407	2.091	7	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	120.3650	0.000	1	120.3650	0.000	1	120.8407	2.091	7	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	123.1470	0.000	1	123.1470	0.000	1	120.8407	2.091	7	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	121.3630	0.000	1	120.3175	2.186	2	120.8407	2.091	7	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<3>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	119.2720	0.000	1	120.3175	2.186	2	120.8407	2.091	7	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<5>,2|B<6>,2|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<5>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.3590	0.107	2	119.3590	0.012	2	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<3>,3|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.8000	1.400	2	119.0425	0.773	4	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.2850	0.351	2	119.0425	0.773	4	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<3>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.6805	0.274	4	118.6805	0.075	4	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[3,5]CO)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[3,5]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	122.1850	0.000	1	122.1850	0.000	1	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,2|P<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.0130	0.500	3	120.0130	0.250	3	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	115.8280	0.000	1	115.8280	0.000	1	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Co<5>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Co<5>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.8413	1.408	3	120.8413	1.983	3	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|H<1>,2|N<2>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.2970	0.000	1	120.5510	1.113	2	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.8050	0.000	1	120.5510	1.113	2	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	121.6420	0.000	1	121.6136	3.511	19	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	120.5980	1.557	3	121.6136	3.511	19	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.0260	0.000	1	121.6136	3.511	19	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Ni<4>,1|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Ni<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.9895	1.159	6	121.6136	3.511	19	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.1574	2.171	8	121.6136	3.511	19	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.7552	3.691	6	118.7552	13.626	6	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.7160	1.259	3	120.7160	1.586	3	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.5770	0.000	1	122.4815	0.018	2	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<3>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.3860	0.000	1	122.4815	0.018	2	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5]P[4])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5]P[4])(C[6a]C[6a]2)(C[5]C[5]HH){2|Ga<4>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<3>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|P<3>,4|H<1>}	117.1107	0.426	4	117.1107	0.181	4	120.1858	5.353	54	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	P[5,5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5,5]N[5,5]P[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]P[5,5]C[6a])(C[5]N[5,5]HH)(H)2	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5,5]N[5,5]P[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|P<3>,3|H<1>,6|C<3>}	C[5](N[5]P[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|P<4>,3|C<3>}	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|C<4>,1|N<3>,1|P<4>,4|H<1>}	118.2190	0.000	1	118.2190	0.000	1	118.2190	0.000	1	120.2146	4.822	76	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH){4|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H){4|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	125.3480	0.000	1	125.3480	0.000	1	125.3480	0.000	1	125.3480	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:N[6a]-2:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]CH){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){2|C<3>,2|N<2>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{2|C<4>,3|C<3>,3|H<1>}	119.7545	0.581	2	119.7545	0.337	2	119.7545	0.337	2	119.7545	0.337	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[6a]-3:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]CH){1|C<2>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){1|N<2>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	118.6410	0.011	2	118.6410	0.000	2	118.6410	0.000	2	118.6410	0.000	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H){3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	123.2320	0.000	1	123.2320	0.000	1	123.2320	0.000	1	123.2320	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,2|H<1>,3|C<3>,4|C<4>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)2{1|B<3>,2|C<3>,2|C<4>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,2|H<1>,4|C<4>}	122.2260	0.000	1	122.2260	0.000	1	122.2260	0.000	1	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<2>,2|C<3>,2|H<1>,2|S<2>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	120.1200	0.000	1	119.8843	0.303	3	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|Se<2>,1|C<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	119.7665	0.723	2	119.8843	0.303	3	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,3|C<3>,3|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	121.9140	0.000	1	120.3430	4.936	2	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|Se<2>,1|C<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	118.7720	0.000	1	120.3430	4.936	2	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5x3]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5x3]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,9|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|B<6>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<6>,1|C<3>,2|H<1>,4|C<4>}	122.7710	0.000	1	122.7710	0.000	1	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|Cr<9>,2|C<3>,2|H<1>,6|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	119.8635	0.951	2	120.4110	1.352	3	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|Li<7>,2|C<3>,2|C<5>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<5>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<5>,1|C<3>,2|H<1>,4|C<4>}	121.5060	0.000	1	120.4110	1.352	3	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|P<2>,1|P<3>,2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	121.2915	0.469	2	121.8540	1.059	3	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|P<2>,1|P<4>,2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	122.9790	0.000	1	121.8540	1.059	3	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]As)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]As)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|As<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|As<2>,1|C<3>,2|H<1>,4|C<4>}	122.7015	0.506	2	122.7015	0.256	2	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|B<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,2|H<1>,4|C<4>}	116.9750	0.000	1	116.9750	0.000	1	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]Be)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Be)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Be<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Be<2>,1|C<3>,2|H<1>,4|C<4>}	124.3350	0.000	1	123.1935	2.606	2	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]Be)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Be)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Be<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Be<3>,1|C<3>,2|H<1>,4|C<4>}	122.0520	0.000	1	123.1935	2.606	2	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|C<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	124.7690	0.533	4	122.0577	6.456	11	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	120.5084	1.708	7	122.0577	6.456	11	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	119.8680	0.000	1	119.8680	0.000	1	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]Ga)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Ga)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Ga<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,2|H<1>,4|C<4>}	119.7110	2.806	2	119.7110	7.873	2	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]Ge)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Ge)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Ge<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ge<2>,1|C<3>,2|H<1>,4|C<4>}	122.4043	0.368	3	122.4043	0.135	3	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,3|H<1>,4|C<4>}	123.4105	0.472	2	123.4105	0.222	2	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]Ni)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Ni)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Ni<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<3>,1|C<3>,2|H<1>,4|C<4>}	122.6590	0.000	1	120.3743	5.551	3	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]Ni)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Ni)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Ni<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|C<3>,2|H<1>,4|C<4>}	119.2320	1.809	2	120.3743	5.551	3	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	125.4090	0.000	1	125.4090	0.000	1	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|P<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<2>,2|H<1>,4|C<4>}	122.9000	1.133	4	122.4864	1.819	5	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|P<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<3>,2|H<1>,4|C<4>}	120.8320	0.000	1	122.4864	1.819	5	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]S)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]S)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|S<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|S<1>,2|H<1>,4|C<4>}	123.0760	0.000	1	123.0760	0.000	1	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]Si)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Si)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Si<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<2>,1|C<3>,2|H<1>,4|C<4>}	121.2085	0.753	2	121.1420	1.702	4	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]Si)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Si)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Si<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|C<3>,2|H<1>,4|C<4>}	121.0755	2.126	2	121.1420	1.702	4	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]Si[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Si[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,6|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Si<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<3>,1|C<3>,2|H<1>,4|C<4>}	121.9380	0.000	1	121.9380	0.000	1	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	120.0190	0.300	3	120.0190	0.090	3	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]Si[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]Si[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,6|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<3>,1|C<3>,2|H<1>,4|C<4>}	122.0880	0.000	1	122.0880	0.000	1	121.5513	3.910	55	121.5633	3.847	56	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|Pd<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	P[5]-4:N[5]-3:O-2:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HO)	C[5](P[5]C[5,6a]C[6]2)(N[5]C[5,6a]C[6a])(OC)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HO){2|C<4>,3|H<1>,4|C<3>}	C[5](P[5]C[5,6a]C[6]2)(N[5]C[5,6a]C[6a])(OC)(H){2|H<1>,4|C<3>,4|C<4>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|O<2>,1|P<4>,3|C<3>,3|H<1>}	122.3260	0.000	1	122.3260	0.000	1	122.3260	0.000	1	122.3260	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	4:3:4:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){3|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CH3)(CNO){6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	121.4350	0.000	1	121.4350	0.000	1	121.4350	0.000	1	121.4350	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[5]C[5]C)(CF3)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){3|H<1>,4|C<3>}	C[5](N[5]C[6a]O[5])(C[5]C[5]C)(CF3)(H){1|H<1>,3|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	120.6260	0.000	1	120.6260	0.000	1	120.6260	0.000	1	120.6260	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:3:4:3:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:N[5]-3:C-4:C-3:	C[6a]-3:N[5]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(CCHH)(COO)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(CCHH)(COO){3|C<3>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.7710	0.000	1	122.7710	0.000	1	122.7710	0.000	1	125.9972	3.721	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:3:4:3:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:N[5]-3:C-4:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(COO)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(COO){5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	126.7680	0.000	1	126.7680	0.000	1	126.8038	0.625	4	125.9972	3.721	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:3:4:3:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:N[5]-3:C-4:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(CCHH)(COO)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(CCHH)(COO){3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	126.8157	0.968	3	126.8157	0.937	3	126.8038	0.625	4	125.9972	3.721	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(CH3){5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	128.5570	0.000	1	128.5570	0.000	1	128.1535	0.654	4	125.6924	30.775	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[3]HH)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[3]HH)(CH3){5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	127.0750	0.000	1	127.0750	0.000	1	128.1535	0.654	4	125.6924	30.775	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[5]HH)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[5]HH)(CH3){5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	128.4910	0.638	2	128.4910	0.407	2	128.1535	0.654	4	125.6924	30.775	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[5]C[5]N)(CH3)2	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]O[5])(C[5]C[5]N)(CH3)2{1|H<1>,3|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	115.8480	0.000	1	115.8480	0.000	1	115.8480	0.000	1	125.6924	30.775	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-2:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.0565	0.632	6	120.0565	0.400	6	118.8841	2.239	12	120.7868	9.776	24	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-2:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	117.7117	1.108	6	117.7117	1.228	6	118.8841	2.239	12	120.7868	9.776	24	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-2:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.7250	0.892	2	118.7250	0.796	2	118.7250	0.796	2	120.7868	9.776	24	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2{3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	125.4670	0.308	6	125.4670	0.095	6	125.4670	0.095	6	120.7868	9.776	24	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5])	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.5580	3.414	2	119.5580	11.655	2	120.5055	5.087	4	120.7868	9.776	24	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5])	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]){3|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.4530	0.122	2	121.4530	0.015	2	120.5055	5.087	4	120.7868	9.776	24	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:C-2:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN)(H){3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	125.6815	0.491	2	125.6815	0.242	2	125.6815	0.242	2	125.6815	0.242	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:2:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:N[5]-3:N[6a]-2:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]){1|Br<1>,1|Cl<1>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	122.4970	0.000	1	122.4970	0.000	1	122.4970	0.000	1	122.4970	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:N[5]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]CC)(COO)(H)	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5]N[5]CC)(COO)(H){2|C<3>}	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	124.4335	0.074	2	124.4335	0.006	2	124.6597	0.156	3	123.8307	8.563	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:N[5]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[5]N[5]CH)(COO)(H)	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]N[5]CH)(COO)(H){2|C<3>}	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	125.1120	0.000	1	125.1120	0.000	1	124.6597	0.156	3	123.8307	8.563	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CNN)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CNN)(H){3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	123.6850	0.000	1	123.6850	0.000	1	125.3086	1.090	5	123.8307	8.563	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN[5]O)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CN[5]O)(H){3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	125.5253	0.564	3	125.5253	0.319	3	125.3086	1.090	5	123.8307	8.563	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]HP)(COO)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HP)(COO)(H){3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	126.2820	0.000	1	126.2820	0.000	1	125.3086	1.090	5	123.8307	8.563	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[4,5])	C[5](N[5]C[6a]O[5])(C[5]C[4,5]HH)(CC[6a]O)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[4,5]){1|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[5]C[4,5]HH)(CC[6a]O)(H){1|C<4>,3|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	116.5860	0.000	1	116.5860	0.000	1	118.8925	10.640	2	123.8307	8.563	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,5])	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(CC[6a]O)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,5]){1|O<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(CC[6a]O)(H){1|O<2>,3|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	121.1990	0.000	1	121.1990	0.000	1	118.8925	10.640	2	123.8307	8.563	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:3:2:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:C-3:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CHO)(OH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CHO)(OH){3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.9150	0.000	1	123.9150	0.000	1	123.9150	0.000	1	123.9150	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCHO)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCHO)(H){3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	125.8430	0.000	1	125.8430	0.000	1	126.2730	0.370	2	123.1957	28.595	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CH3)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CH3)(H){3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	126.7030	0.000	1	126.7030	0.000	1	126.2730	0.370	2	123.1957	28.595	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){4|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H){1|H<1>,3|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	117.0410	0.000	1	117.0410	0.000	1	117.0410	0.000	1	123.1957	28.595	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:4:3:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:C-4:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CH3)(COO)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CH3)(COO){3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	125.6470	0.000	1	125.6470	0.000	1	125.6470	0.000	1	125.6470	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:4:4:	3:2:2:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:N[6a]-2:N[6a]-2:	N[5](C[6a]N[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[5](C[6a]N[6a]2)(C[5]C[5]CC)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|C<4>,2|N<2>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,4|C<4>}	126.4360	0.427	2	126.4360	0.182	2	126.4360	0.182	2	126.4360	0.182	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-2:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5,6])	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5,6]){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|H<1>,4|C<4>}	119.4820	0.000	1	119.4820	0.000	1	119.4820	0.000	1	117.9550	4.663	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(CH3)2	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(CH3)2{1|C<4>,1|N<3>,2|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|C<4>}	116.4280	0.000	1	116.4280	0.000	1	116.4280	0.000	1	117.9550	4.663	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	4:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCH)(H){5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	126.3855	0.681	2	126.3855	0.464	2	126.3855	0.464	2	126.3855	0.464	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	4:3:3:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-3:C-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CC[6a]O)(CCHH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CC[6a]O)(CCHH){5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	124.6910	5.187	5	124.6910	26.903	5	124.6910	26.903	5	124.6910	26.903	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	4:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(H){5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	126.2020	0.000	1	126.2020	0.000	1	126.2020	0.000	1	126.2020	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	4:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CCHH)(CH3){5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	129.7175	0.013	2	129.7175	0.000	2	129.7175	0.000	2	129.7175	0.000	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:2:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:S[5]-2:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(S[5]C[5])(CCl3)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(S[5]C[5])(CCl3)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	121.2450	0.502	2	121.2450	0.252	2	121.2450	0.252	2	121.2450	0.252	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-2:C-4:C-4:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]S){1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2{1|S<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|S<1>,2|C<4>,2|H<1>,2|N<2>,3|C<3>}	124.8080	0.000	1	124.8080	0.000	1	124.8080	0.000	1	124.0683	0.468	6	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-2:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S){2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3){1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<2>}	124.4520	0.000	1	124.4520	0.000	1	123.8615	0.538	4	124.0683	0.468	6	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-2:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S){2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)2{1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<2>}	123.3020	0.000	1	123.3020	0.000	1	123.8615	0.538	4	124.0683	0.468	6	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-2:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<3>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2{1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<2>}	123.1560	0.000	1	123.1560	0.000	1	123.8615	0.538	4	124.0683	0.468	6	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-2:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S){2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2{1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<2>}	124.5360	0.000	1	124.5360	0.000	1	123.8615	0.538	4	124.0683	0.468	6	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:2:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	124.1560	0.000	1	124.1560	0.000	1	124.1560	0.000	1	124.0683	0.468	6	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,3|C<3>,4|H<1>}	118.8530	0.000	1	118.8530	0.000	1	118.8530	0.000	1	119.8670	2.056	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	120.8810	0.000	1	120.8810	0.000	1	120.8810	0.000	1	119.8670	2.056	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	C[5](N[5]C[6a]B[5])(C[5]N[5]B)(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){1|B<4>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]B)(H)2{1|Br<1>,3|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|C<3>,4|H<1>}	119.1060	0.000	1	119.1060	0.000	1	119.9675	1.484	2	121.2121	4.356	14	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	C[5](N[5]C[6a]B[5])(C[5]N[5]H)(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]H)(H)2{1|Br<1>,3|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|C<3>,4|H<1>}	120.8290	0.000	1	120.8290	0.000	1	119.9675	1.484	2	121.2121	4.356	14	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	B[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]B[5]HH)(C[5]C[5]C)	C[5](B[5]C[6a]C[5])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]B[5]HH)(C[5]C[5]C){1|P<3>,2|C<4>,3|C<3>}	C[5](B[5]C[6a]C[5])(N[5]C[6a]C[5])(H)2{1|C<4>,1|P<3>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<4>,2|C<3>,4|H<1>}	116.5280	0.000	1	116.5280	0.000	1	116.5280	0.000	1	121.2121	4.356	14	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,3|H<1>,5|C<3>}	122.2960	0.000	1	122.2960	0.000	1	122.2960	0.000	1	121.2121	4.356	14	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(H)2{1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	120.6620	0.000	1	120.6620	0.000	1	121.2620	0.277	3	121.2121	4.356	14	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	121.4800	0.000	1	121.5620	0.013	2	121.2620	0.277	3	121.2121	4.356	14	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	121.6440	0.000	1	121.5620	0.013	2	121.2620	0.277	3	121.2121	4.356	14	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:F-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]FH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])2(F)(H)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]FH)(C[5]C[5]O){1|O<1>,2|F<1>,3|C<3>}	C[5](N[5]C[6a]C[5])2(F)(H){2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|F<1>}	122.5120	0.000	1	122.5120	0.000	1	122.5120	0.000	1	121.2121	4.356	14	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	124.0840	0.000	1	123.1980	0.860	4	122.7100	1.835	5	121.2121	4.356	14	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,2|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	123.1620	0.000	1	123.1980	0.860	4	122.7100	1.835	5	121.2121	4.356	14	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	121.9270	0.000	1	123.1980	0.860	4	122.7100	1.835	5	121.2121	4.356	14	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	123.6190	0.000	1	123.1980	0.860	4	122.7100	1.835	5	121.2121	4.356	14	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]N[5]S){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5]C)(H)2{1|H<1>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|S<1>,2|N<3>,4|H<1>}	120.7580	0.000	1	120.7580	0.000	1	122.7100	1.835	5	121.2121	4.356	14	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	P[5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|H<1>,5|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{4|C<3>,4|H<1>}	118.3630	0.000	1	118.3630	0.000	1	118.3630	0.000	1	121.2121	4.356	14	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:2:1:	2:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	N[6a]-2:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]S[5]H)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]S[5]H)(C[5]C[5]O){3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){2|Cl<1>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	116.3130	0.000	1	116.3130	0.000	1	116.3130	0.000	1	116.3130	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.0200	0.000	1	120.0200	0.000	1	119.6000	0.160	4	119.6000	0.160	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){1|H<1>,2|C<3>,2|N<2>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(OC)(H){1|O<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	119.4600	0.350	3	119.4600	0.123	3	119.6000	0.160	4	119.6000	0.160	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])2(OC[5])(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2(OC[5])(H){2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	123.5235	0.603	4	123.5235	0.363	4	123.5235	0.363	4	123.1712	0.529	6	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:S-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]HS)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])2(SS)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HS)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])2(SS)(H){2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	122.4665	0.255	2	122.4665	0.065	2	122.4665	0.065	2	123.1712	0.529	6	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|H<1>,6|C<3>}	121.7960	0.000	1	121.7960	0.000	1	121.7960	0.000	1	122.8627	2.633	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	122.0620	0.000	1	122.0620	0.000	1	122.0620	0.000	1	122.8627	2.633	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]C)(NHS)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]O){1|C<1>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]C)(NHS)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	124.7300	0.000	1	124.7300	0.000	1	124.7300	0.000	1	122.8627	2.633	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O){1|H<1>,1|N<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	122.9720	0.000	1	122.9720	0.000	1	122.9720	0.000	1	122.9720	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.2530	0.000	1	122.2530	0.000	1	122.2530	0.000	1	122.2530	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	B[5]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.0880	0.000	1	119.0880	0.000	1	119.0880	0.000	1	122.8349	12.877	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	B[5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<4>,3|H<1>,4|C<3>}	118.9180	0.000	1	118.9180	0.000	1	118.9180	0.000	1	122.8349	12.877	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	123.2380	0.000	1	123.2380	0.000	1	123.2380	0.000	1	122.8349	12.877	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:B[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(B[5]O[5]C)(CCCH)(H)	C[6a](C[6a]C[6a]2)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]O[5]O){1|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(B[5]O[5]C)(CCCH)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]2)2(N[5]C[5]2){1|B<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	129.6520	0.000	1	129.6520	0.000	1	129.6520	0.000	1	122.8349	12.877	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.5900	0.000	1	122.5900	0.000	1	122.0576	4.526	5	122.8349	12.877	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHO)(H){1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	125.5290	0.000	1	125.5290	0.000	1	122.0576	4.526	5	122.8349	12.877	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHHO)(H){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.5260	0.000	1	120.5260	0.000	1	122.0576	4.526	5	122.8349	12.877	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,3|H<1>}	120.8215	0.606	2	120.8215	0.367	2	122.0576	4.526	5	122.8349	12.877	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	127.1650	0.000	1	127.1650	0.000	1	127.1650	0.000	1	122.8349	12.877	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CH3)(CNO){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	120.6515	0.191	4	120.6515	0.037	4	122.3240	6.088	7	122.3240	6.088	7	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CH3)(COO)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CH3)(COO){1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	125.8600	0.276	2	125.8600	0.076	2	122.3240	6.088	7	122.3240	6.088	7	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(CCH){1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	121.9420	0.000	1	121.9420	0.000	1	122.3240	6.088	7	122.3240	6.088	7	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C){1|H<1>,1|N<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(CH3){5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	117.7240	0.000	1	117.7240	0.000	1	118.3715	1.666	4	118.3715	1.666	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[3]HH)(CH3)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C){1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[3]HH)(CH3){5|C<3>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>,4|C<4>}	119.3980	0.000	1	119.3980	0.000	1	118.3715	1.666	4	118.3715	1.666	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[5]HH)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C){1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[5]HH)(CH3){5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>,3|C<4>}	118.1820	1.858	2	118.1820	3.453	2	118.3715	1.666	4	118.3715	1.666	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]S)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]S){2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<1>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	118.0920	0.000	1	118.0920	0.000	1	119.4387	1.360	3	119.4387	1.360	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	120.1120	0.000	2	120.1120	0.000	2	119.4387	1.360	3	119.4387	1.360	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.5980	1.556	3	117.5980	2.423	3	117.8559	1.550	14	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|Br<1>,3|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.0790	0.000	2	119.0790	0.000	2	117.8559	1.550	14	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	118.5125	2.147	2	117.4755	1.594	6	117.8559	1.550	14	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{4|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	116.9570	0.211	4	117.4755	1.594	6	117.8559	1.550	14	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Li)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Li){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|Li<3>,3|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Li<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.3350	0.000	2	117.3350	0.000	2	117.8559	1.550	14	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	119.5080	0.000	1	119.5080	0.000	1	117.8559	1.550	14	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5]C[5]2)	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5]C[5]2){1|C<4>,1|N<3>,2|N<2>,4|C<3>,4|H<1>}	121.3890	0.000	1	121.3890	0.000	1	121.3890	0.000	1	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.7440	0.000	1	121.7440	0.000	1	119.6220	13.196	17	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	124.2130	0.267	2	124.2130	0.071	2	119.6220	13.196	17	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	127.5400	0.000	1	127.5400	0.000	1	119.6220	13.196	17	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ir)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<6>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2){1|Ir<6>,1|N<3>,3|C<3>,3|C<4>,5|H<1>}	116.9525	0.960	2	116.9525	0.921	2	119.6220	13.196	17	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<5>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.7265	1.633	2	117.7265	2.666	2	119.6220	13.196	17	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd){1|N<3>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<6>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|Pd<6>,1|N<3>,3|C<3>,3|C<4>,4|H<1>}	118.7240	1.334	4	118.7240	1.780	4	119.6220	13.196	17	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|Ru<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.9550	1.150	2	115.9550	1.322	2	119.6220	13.196	17	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2){1|Ru<5>,1|N<3>,3|C<3>,3|C<4>,5|H<1>}	117.3305	0.260	2	117.3305	0.067	2	119.6220	13.196	17	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2){1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	125.0390	0.000	1	125.0390	0.000	1	119.6220	13.196	17	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	120.8545	0.149	2	120.8545	0.022	2	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<2>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<2>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,2|C<3>,5|H<1>}	123.1000	0.000	1	123.1000	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	119.8740	0.000	1	119.8740	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.1910	0.000	1	121.1910	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|F<1>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	122.6610	0.071	2	122.6610	0.005	2	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.5350	0.000	1	121.1926	0.090	5	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.0510	0.000	1	121.1926	0.090	5	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.1740	0.000	1	121.1926	0.090	5	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.1015	0.452	2	121.1926	0.090	5	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.6810	0.000	1	121.6765	0.000	2	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.6720	0.000	1	121.6765	0.000	2	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|F<1>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	122.2810	0.000	1	122.2810	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	119.8760	0.000	1	119.8760	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	120.9930	0.000	1	120.9237	0.240	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	120.3000	0.000	1	120.9237	0.240	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|S<2>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	121.2010	0.414	2	120.9237	0.240	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.4780	0.000	1	120.4780	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Al<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.3287	1.349	6	118.3287	1.820	6	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al){1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Al<5>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Al<5>,1|C<3>,1|N<3>,2|H<1>,3|C<4>}	120.6240	0.713	2	120.6240	0.508	2	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.9140	0.000	1	118.3401	4.007	21	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<2>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.2655	1.087	2	118.3401	4.007	21	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.4818	1.251	10	118.3401	4.007	21	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.4849	1.778	8	118.3401	4.007	21	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Br)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.2482	0.909	4	122.2482	0.826	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.7330	0.000	1	120.5377	5.538	28	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	121.3240	0.000	1	120.5377	5.538	28	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.6917	1.104	10	120.5377	5.538	28	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.3176	3.006	16	120.5377	5.538	28	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.8000	0.000	1	121.8000	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	123.0240	0.000	1	123.0240	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<2>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.2628	1.654	4	119.8134	3.910	21	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<3>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.1559	1.611	9	119.8134	3.910	21	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.5545	1.459	4	119.8134	3.910	21	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Co<5>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.1025	0.591	4	119.8134	3.910	21	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Cu)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Cu){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Cu<3>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.4605	1.088	4	120.4605	1.184	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.9400	0.240	2	118.9400	0.058	2	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<3>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.4101	1.918	11	119.7126	2.258	57	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.2608	1.008	36	119.7126	2.258	57	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<5>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.9942	0.546	6	119.7126	2.258	57	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<6>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.6887	0.611	4	119.7126	2.258	57	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Fe<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	121.1900	0.334	4	121.1900	0.111	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ga<4>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.5373	0.872	3	119.2402	3.287	27	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ga<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.9530	1.696	24	119.2402	3.287	27	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	123.7960	1.926	2	123.7960	3.710	2	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	126.5400	0.000	1	126.5400	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.0500	1.240	2	120.0500	1.538	2	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	123.9638	1.485	4	123.6822	1.466	36	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	125.3547	0.877	3	123.6822	1.466	36	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	122.2960	0.308	2	123.6822	1.466	36	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	123.5574	1.076	27	123.6822	1.466	36	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.9600	0.049	2	122.6166	4.794	5	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	123.7210	2.239	3	122.6166	4.794	5	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|In<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|In<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.5135	1.356	8	119.5135	1.838	8	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<5>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.5623	1.847	11	118.8342	3.288	13	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<6>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.3295	0.261	2	118.8342	3.288	13	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<6>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	130.9210	0.000	1	130.9210	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Li)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Li){1|H<1>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Li<7>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Li<7>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.0680	0.000	1	123.0680	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Mg)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Mg){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Mg<6>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mg<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.8710	0.231	2	119.8710	0.053	2	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Mn)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Mn){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Mn<6>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Mn<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.4860	0.462	2	118.4860	0.214	2	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	121.1723	0.855	6	121.1723	0.731	6	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N){2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	120.4930	0.000	1	120.4930	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<2>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.2262	1.164	4	119.0558	4.208	24	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<3>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.9923	0.495	3	119.0558	4.208	24	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.4860	1.128	5	119.0558	4.208	24	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<5>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.1225	1.428	4	119.0558	4.208	24	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<7>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<7>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.6921	2.088	8	119.0558	4.208	24	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	122.1490	0.290	5	122.1617	0.068	6	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	122.2250	0.000	1	122.1617	0.068	6	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<2>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|P<2>,4|H<1>}	119.4500	2.316	12	119.1349	5.157	18	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<3>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|P<3>,4|H<1>}	119.3732	1.697	4	119.1349	5.157	18	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|P<4>,4|H<1>}	116.7675	2.723	2	119.1349	5.157	18	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|H<1>,2|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.2550	0.000	1	121.2550	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.4520	2.174	10	119.4520	4.727	10	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.3233	2.762	4	119.6404	2.785	75	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<2>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.4253	0.646	4	119.6404	2.785	75	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<3>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.1855	0.894	4	119.6404	2.785	75	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.7678	1.537	59	119.6404	2.785	75	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<5>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.7480	1.710	4	119.6404	2.785	75	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.2120	0.880	6	120.2120	0.775	6	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|S<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.7235	0.873	4	119.7235	0.761	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.9385	1.733	2	120.9385	3.004	2	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	135.8800	0.474	2	135.8800	0.224	2	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	127.5530	0.000	1	127.5530	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|O<2>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	126.0720	0.000	1	126.0720	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pt<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.5701	1.399	8	119.5701	1.958	8	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pt<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.2205	0.758	4	119.2205	0.575	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<5>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Re<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	113.1070	0.972	2	115.5800	5.368	5	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<6>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.2287	0.267	3	115.5800	5.368	5	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<6>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.5060	0.509	4	117.5060	0.259	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re){2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Re<6>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.7060	0.000	1	118.7060	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<5>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	115.1530	0.587	2	116.5190	3.155	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<6>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.8850	1.287	2	116.5190	3.155	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Rh<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.4793	1.178	3	118.4793	1.388	3	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Rh<4>,3|C<3>}	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	127.3110	0.000	1	127.3110	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.7195	0.955	2	119.6805	0.751	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<5>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.6415	1.155	2	119.6805	0.751	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.5290	0.653	8	118.3946	5.151	207	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.8530	0.000	1	118.3946	5.151	207	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.6530	0.000	1	118.3946	5.151	207	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.7837	1.649	4	118.3946	5.151	207	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.6799	2.213	154	118.3946	5.151	207	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<6>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.1464	2.158	31	118.3946	5.151	207	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<8>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<8>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.2995	2.292	2	118.3946	5.151	207	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.4928	2.872	6	118.3946	5.151	207	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|F<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.3357	1.800	6	117.3357	3.240	6	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<9>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.4660	0.000	1	120.4660	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|S<1>,4|H<1>}	121.3880	0.000	1	124.2262	2.901	5	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|S<2>,4|H<1>}	124.9357	0.715	4	124.2262	2.901	5	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|S<1>,4|H<1>}	120.3410	0.362	2	121.2039	0.761	9	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|S<2>,4|H<1>}	121.4504	0.820	7	121.2039	0.761	9	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.1597	2.514	7	121.4852	3.492	20	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<2>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.8587	1.266	11	121.4852	3.492	20	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<3>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.5700	1.591	2	121.4852	3.492	20	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]U)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]U){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|U<8>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|U<8>,4|H<1>}	121.5200	0.378	2	121.5200	0.143	2	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Zn)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Zn){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.2545	0.493	2	120.7630	0.546	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Zn)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Zn){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.2715	0.654	2	120.7630	0.546	4	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|F<1>,1|O<1>,1|O<2>,3|H<1>}	122.3140	0.780	7	122.2362	0.550	16	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|F<1>,2|H<1>}	122.5943	0.615	3	122.2362	0.550	16	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	121.9663	0.773	6	122.2362	0.550	16	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	123.0980	0.000	1	123.0980	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	121.4450	0.000	1	121.4450	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]Re)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]Re){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{1|Re<6>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Re<6>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.3980	0.000	1	118.3980	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]C)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]C){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2{3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	119.2265	1.554	8	119.2265	2.414	8	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]N)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]N){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(H)2{1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|S<2>,4|H<1>}	120.0970	0.000	1	120.0970	0.000	1	119.7664	6.727	745	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]C)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.0853	0.429	4	120.0853	0.184	4	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.5227	0.920	3	119.5227	0.847	3	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){1|P<3>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.8640	0.000	1	119.8640	0.000	1	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){3|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.9020	0.000	1	120.9020	0.000	1	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Co<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.4620	1.129	2	120.4620	1.274	2	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<5>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.3825	0.537	2	118.3825	0.288	2	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]N)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]N){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|N<2>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	120.4230	0.156	2	120.4230	0.024	2	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.6043	3.271	4	118.6043	10.701	4	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.9067	2.260	7	118.9067	5.109	7	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.0335	3.359	2	121.0335	11.286	2	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O){3|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	119.6280	0.403	2	119.6280	0.162	2	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<3>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Pt<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.3240	0.219	2	121.3240	0.048	2	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.9075	0.435	2	118.9075	0.189	2	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]S)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]S){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|S<2>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>,4|H<1>}	122.2710	2.150	2	122.2710	4.621	2	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]W)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]W){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|W<8>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|W<8>,4|H<1>}	120.6710	1.103	2	120.6710	1.217	2	119.8064	3.404	38	119.7344	6.653	815	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O){1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	124.1890	0.000	1	124.1890	0.000	1	122.2766	2.732	12	122.2766	2.732	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){1|S<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<1>,3|H<1>}	122.7035	1.368	2	122.7035	1.872	2	122.2766	2.732	12	122.2766	2.732	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|S<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<1>,3|H<1>}	122.9745	0.987	4	122.9745	0.975	4	122.2766	2.732	12	122.2766	2.732	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S){1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|S<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<1>,3|H<1>}	121.0085	2.102	2	121.0085	4.419	2	122.2766	2.732	12	122.2766	2.732	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]Se)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]Se){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OH)(H){1|Se<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	122.4615	0.272	2	122.4615	0.074	2	122.2766	2.732	12	122.2766	2.732	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]S[5]S)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(OH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]S[5]S){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(OH)(H){1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,1|S<1>,1|S<2>,3|H<1>}	118.8850	0.000	1	118.8850	0.000	1	122.2766	2.732	12	122.2766	2.732	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	121.7060	0.000	1	121.7060	0.000	1	121.7060	0.000	1	122.0060	0.401	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(COO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(COO)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	121.6810	0.000	2	121.6810	0.000	2	122.1060	0.542	3	122.0060	0.401	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.9560	0.000	1	122.9560	0.000	1	122.1060	0.542	3	122.0060	0.401	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:3:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(CC[6a]C)(CH3){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.8180	0.000	1	121.8180	0.000	1	121.8180	0.000	1	121.8180	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	122.2135	0.094	2	122.2135	0.009	2	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	121.7860	0.000	1	121.7860	0.000	1	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]HH)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	122.0460	0.716	2	122.0460	0.512	2	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HP)(CF3)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|P<4>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HP)(CF3)(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	123.5830	0.000	1	123.5830	0.000	1	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	127.0170	0.000	1	127.0170	0.000	1	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Li)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Li){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CBHH)(H){1|Li<7>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Li<7>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	122.9450	0.000	1	122.9450	0.000	1	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]CH)(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	122.8180	0.000	1	122.8180	0.000	1	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CH3)(H){1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	123.2270	1.086	3	123.2270	1.180	3	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Rh)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Rh){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CCHH)(H){1|Rh<6>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	123.1787	1.248	3	123.1787	1.558	3	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CC3)(H){1|Ru<5>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<5>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	125.1735	0.319	2	125.1735	0.102	2	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H){1|Ru<6>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<6>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	114.4390	0.000	1	114.4390	0.000	1	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru){1|H<1>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CH3)(H){1|Ru<6>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<6>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	118.3440	0.000	1	118.3440	0.000	1	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	123.6150	0.000	1	123.6150	0.000	1	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCHO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCHO)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	122.9750	0.000	1	122.9750	0.000	1	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	123.6145	1.660	2	123.6145	2.754	2	122.7319	6.093	23	122.7319	6.093	23	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]S[5]N)	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(CClHH)(OH)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]S[5]N){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]S[5]HH)(CClHH)(OH){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<3>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	120.8450	0.000	1	120.8450	0.000	1	120.8450	0.000	1	120.8450	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Al)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Al){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Al<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<3>,1|C<3>,2|H<1>,4|C<4>}	122.3010	1.276	2	120.6947	5.712	6	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Al)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Al){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Al<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<4>,1|C<3>,2|H<1>,4|C<4>}	119.8915	2.529	4	120.6947	5.712	6	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]As)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]As){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|As<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|As<2>,1|C<3>,2|H<1>,4|C<4>}	121.7350	1.275	3	121.7350	1.626	3	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<2>,1|C<3>,2|H<1>,4|C<4>}	122.9660	0.000	1	120.4178	3.922	39	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,2|H<1>,4|C<4>}	120.7294	1.705	28	120.4178	3.922	39	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	119.2171	2.453	9	120.4178	3.922	39	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|H<1>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	119.9510	0.000	1	120.4178	3.922	39	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Be)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Be){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Be<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Be<2>,1|C<3>,2|H<1>,4|C<4>}	124.4250	0.091	4	123.2764	2.330	7	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Be)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Be){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Be<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Be<3>,1|C<3>,2|H<1>,4|C<4>}	121.7450	0.907	3	123.2764	2.330	7	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|C<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	124.3905	1.916	8	123.3296	6.580	13	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	121.6322	2.732	5	123.3296	6.580	13	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Co)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Co){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Co<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<3>,1|C<3>,2|H<1>,4|C<4>}	121.0260	0.744	2	120.3885	0.726	4	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Co)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Co){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Co<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<4>,1|C<3>,2|H<1>,4|C<4>}	119.7510	0.000	2	120.3885	0.726	4	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cr)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cr){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Cr<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cr<3>,1|C<3>,2|H<1>,4|C<4>}	121.8115	0.753	2	120.7520	3.651	3	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cr)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cr){2|H<1>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Cr<6>,1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cr<6>,1|C<3>,2|H<1>,4|C<4>}	118.6330	0.000	1	120.7520	3.651	3	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cu)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cu){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Cu<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<2>,1|C<3>,2|H<1>,4|C<4>}	119.0210	0.000	1	119.5405	0.540	2	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cu)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cu){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Cu<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<4>,1|C<3>,2|H<1>,4|C<4>}	120.0600	0.000	1	119.5405	0.540	2	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Fe)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Fe){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Fe<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<3>,1|C<3>,2|H<1>,4|C<4>}	120.8465	0.608	6	120.4700	2.082	14	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Fe)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Fe){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Fe<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<4>,1|C<3>,2|H<1>,4|C<4>}	120.4690	1.793	7	120.4700	2.082	14	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Fe)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Fe){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Fe<5>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<5>,1|C<3>,2|H<1>,4|C<4>}	118.2180	0.000	1	120.4700	2.082	14	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ga)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ga){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ga<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,2|H<1>,4|C<4>}	122.4390	1.376	2	122.4390	1.893	2	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ge)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ge){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ge<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ge<2>,1|C<3>,2|H<1>,4|C<4>}	121.6170	0.000	1	121.6567	1.130	3	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ge)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ge){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ge<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ge<3>,1|C<3>,2|H<1>,4|C<4>}	121.6765	1.503	2	121.6567	1.130	3	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,3|H<1>,4|C<4>}	124.8773	0.754	4	124.8773	0.569	4	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ir)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ir){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ir<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<4>,1|C<3>,2|H<1>,4|C<4>}	119.0660	0.000	1	120.7330	5.558	2	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ir)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ir){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ir<6>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<6>,1|C<3>,2|H<1>,4|C<4>}	122.4000	0.000	1	120.7330	5.558	2	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HN)(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HN)(CC[6a]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	128.1090	0.000	1	128.1090	0.000	1	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	122.8000	0.000	1	122.8000	0.000	1	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHI)(CH3)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){2|C<3>,2|F<1>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHI)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<3>,1|O<1>,2|F<1>,4|C<4>}	125.4610	0.000	1	125.4610	0.000	1	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|P<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<2>,2|H<1>,4|C<4>}	122.8616	0.244	5	121.2590	5.172	10	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|P<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<4>,2|H<1>,4|C<4>}	119.6564	2.271	5	121.2590	5.172	10	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ru){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ru<5>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|C<3>,2|H<1>,4|C<4>}	119.9746	0.690	5	119.9746	0.477	5	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Se)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Se){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Se<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|C<3>,2|H<1>,4|C<4>}	121.4210	0.602	2	121.4210	0.363	2	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<3>,1|C<3>,2|H<1>,4|C<4>}	121.4277	2.700	6	121.4788	5.170	13	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|C<3>,2|H<1>,4|C<4>}	121.5227	2.063	7	121.4788	5.170	13	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Sn)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Sn){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Sn<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Sn<3>,1|C<3>,2|H<1>,4|C<4>}	121.7220	0.000	1	121.7220	0.000	1	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ti)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ti){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ti<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ti<4>,1|C<3>,2|H<1>,4|C<4>}	119.5020	0.983	2	118.1268	2.901	4	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ti)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ti){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ti<5>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ti<5>,1|C<3>,2|H<1>,4|C<4>}	116.7515	0.415	2	118.1268	2.901	4	121.2665	5.368	140	121.2665	5.368	140	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|H<1>,4|C<3>,4|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.3760	1.136	2	120.3760	1.290	2	120.3760	1.290	2	122.2075	2.390	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.2600	0.000	1	121.2600	0.000	1	122.6146	1.801	9	122.2075	2.390	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5]C[6a]2N[5])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<4>,5|C<3>}	C[5](C[5]C[6a]2N[5])(N[5]C[6a]C[5])(H)2{1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.2790	0.629	2	122.2790	0.396	2	122.6146	1.801	9	122.2075	2.390	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.8988	1.672	5	122.8988	2.796	5	122.6146	1.801	9	122.2075	2.390	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(H)2{1|O<1>,1|S<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	123.2190	0.000	1	123.2190	0.000	1	122.6146	1.801	9	122.2075	2.390	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:3:1:	3:3:2:	C[6a]-3:C[5]-4:B[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N[6a]-2:	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(B[5]N[5]Si)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(B[5]N[5]Si){2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,1|N<2>,2|H<1>,6|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H){6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	122.8490	0.000	1	122.8490	0.000	1	121.7825	2.275	2	119.6462	4.899	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CCO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CCO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.7160	0.000	1	120.7160	0.000	1	121.7825	2.275	2	119.6462	4.899	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<5>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	118.2220	1.027	3	118.2220	1.055	3	118.2220	1.055	3	119.6462	4.899	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	125.3180	0.000	1	125.3780	0.048	3	125.2832	0.068	4	125.2832	0.068	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	125.1940	0.000	1	125.3780	0.048	3	125.2832	0.068	4	125.2832	0.068	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5](C[5]C[5a]C[5]H)(N[5]C[6a]C[5])(COO)2{1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	125.6220	0.000	1	125.3780	0.048	3	125.2832	0.068	4	125.2832	0.068	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(COO)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(COO)2{1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	124.9990	0.000	1	124.9990	0.000	1	125.2832	0.068	4	125.2832	0.068	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:4:1:	3:2:2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5]-3:N[6a]-2:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]2)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C[6a])(CF3)(H)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C[6a])(CF3)(H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{2|C<4>,3|C<3>,3|H<1>}	121.4780	0.000	1	121.4780	0.000	1	121.4780	0.000	1	121.4780	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:4:4:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]Ru)(N[5]C[6a]C[5])(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2){1|Ru<10>,4|C<3>,4|C<4>}	C[5](C[5,5]C[5,5]C[5]Ru)(N[5]C[6a]C[5])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	121.7835	3.735	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(CH3)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	123.1500	0.000	1	123.1500	0.000	1	123.1500	0.000	1	121.7835	3.735	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:2:4:4:	2:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	N[6a]-2:N[6a]-2:N[5]-3:	N[5](C[6a]N[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)(C[5]O[5]CC){2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2{2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(N[5]C[5]2){2|Cl<1>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	127.0440	0.000	1	127.0440	0.000	1	127.0440	0.000	1	127.0440	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:2:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	128.7650	0.000	1	128.7650	0.000	1	128.7650	0.000	1	128.7650	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH){1|N<2>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)2{2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,6|H<1>}	123.3250	0.000	1	123.3250	0.000	1	123.3250	0.000	1	123.1004	2.510	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH){1|N<2>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,6|H<1>}	122.3840	0.000	1	122.3840	0.000	1	122.1367	0.046	3	123.1004	2.510	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]HH)	C[5](N[5]C[6a]C[5])2(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]HH){1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])2(H)2{2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	122.0130	0.006	2	122.0130	0.000	2	122.1367	0.046	3	123.1004	2.510	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:S[5]-4:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]N[5]OO)	C[5](N[5]C[6a]S[5])(C[5]N[5]O)(H)2	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]N[5]OO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](N[5]C[6a]S[5])(C[5]N[5]O)(H)2{2|C<3>,2|O<1>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|O<1>,3|C<3>,3|H<1>}	125.7670	0.000	1	125.7670	0.000	1	125.7670	0.000	1	123.1004	2.510	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:3:2:1:	3:3:2:	C[6a]-3:C[5]-4:S[5]-4:	C[5,6]-3:N[5]-3:O-2:H-1:	N[5]-3:C[6a]-3:N[6a]-2:	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6]HO)(S[5]C[5,6]OO)	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]S[5])(OO)(H)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6]HO)(S[5]C[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]S[5])(OO)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	123.4910	0.000	1	123.4910	0.000	1	123.4910	0.000	1	123.4910	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:3:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HO)	C[5](N[5]C[6a]C[5])2(OC)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HO){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])2(OC)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	120.3040	2.742	2	120.3040	7.519	2	120.3040	7.519	2	120.3040	7.519	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[6a]C[5])2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH){3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]O)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	122.6330	0.000	1	122.6330	0.000	1	122.6330	0.000	1	122.6330	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[5]-3:	N[5](C[6a]N[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)(C[5]O[5]CC){2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{2|C<4>,2|N<2>}	C[6a](N[6a]C[6a])2(N[5]C[5]2){2|Cl<1>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	122.0700	0.000	1	122.0700	0.000	1	123.0557	1.115	9	123.0882	0.940	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[5]-3:	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|N<2>,4|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	122.4785	1.590	2	122.6598	1.449	4	123.0557	1.115	9	123.0882	0.940	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[5]-3:	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|N<2>,4|H<1>}	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	122.8410	1.298	2	122.6598	1.449	4	123.0557	1.115	9	123.0882	0.940	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[5]-3:	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|N<2>,4|H<1>}	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	123.7560	0.675	2	123.7560	0.455	2	123.0557	1.115	9	123.0882	0.940	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[6a]-2:N[6a]-2:N[5]-3:	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|N<2>,4|H<1>}	C[6a](N[6a]C[6a])2(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	123.6400	0.928	2	123.6400	0.861	2	123.0557	1.115	9	123.0882	0.940	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	2:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[6a]-2:O[6a]-2:N[5]-3:	N[5](C[6a]N[6a]O[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](N[6a]C[6a])(O[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]N[6a]O[6a])(C[5]C[5]HH)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,4|H<1>}	C[6a](N[6a]C[6a])(O[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	123.2345	0.654	2	123.2345	0.428	2	123.2345	0.428	2	123.0882	0.940	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	123.8798	1.416	4	123.8798	2.006	4	123.8798	2.006	4	123.3333	16.736	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[6a]-2:N[6a]-3:N[5]-3:	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[5]C[5]2)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(N[5]C[5]2){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	122.9690	5.341	6	122.9690	28.523	6	122.9690	28.523	6	123.3333	16.736	10	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	122.8690	4.127	2	123.5751	1.758	18	123.5751	1.758	18	123.3595	4.514	45	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<3>,1|S<2>,2|C<4>,2|N<2>,5|H<1>}	123.6932	0.913	12	123.5751	1.758	18	123.5751	1.758	18	123.3595	4.514	45	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){2|C<4>,2|N<2>,2|N<3>,5|H<1>}	123.5735	0.918	4	123.5751	1.758	18	123.5751	1.758	18	123.3595	4.514	45	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(N[5]C[5]2){1|Cl<1>,1|N<2>,2|C<3>,3|C<4>,4|H<1>}	118.0710	0.000	1	118.0710	0.000	1	123.2347	5.773	25	123.3595	4.514	45	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{1|C<2>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	123.5863	1.907	8	123.5863	3.635	8	123.2347	5.773	25	123.3595	4.514	45	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	123.3235	1.111	2	123.3235	1.234	2	123.2347	5.773	25	123.3595	4.514	45	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{1|C<2>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	123.2483	3.942	6	123.2483	15.537	6	123.2347	5.773	25	123.3595	4.514	45	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,3|C<4>,4|H<1>}	123.3145	1.453	2	123.4961	0.852	8	123.2347	5.773	25	123.3595	4.514	45	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	123.6732	0.753	4	123.4961	0.852	8	123.2347	5.773	25	123.3595	4.514	45	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	123.3235	1.380	2	123.4961	0.852	8	123.2347	5.773	25	123.3595	4.514	45	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	122.9795	5.352	2	122.9795	28.645	2	122.9795	28.645	2	123.3595	4.514	45	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2{3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	124.3230	2.338	4	124.3230	5.468	4	124.3230	5.468	4	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]HH)2{1|N<2>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	124.5475	1.688	2	124.5475	2.849	2	124.5475	2.849	2	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,6|H<1>}	124.1737	1.080	4	124.1737	1.166	4	124.1737	1.166	4	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	120.9153	0.879	4	121.1512	0.857	5	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,7|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	122.0950	0.000	1	121.1512	0.857	5	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]N)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|N<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	122.6680	0.000	1	122.6680	0.000	1	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	120.6700	0.000	1	120.6700	0.000	1	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	116.1070	0.000	1	116.1070	0.000	1	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	122.5695	0.985	6	122.8173	0.903	8	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	123.5605	0.052	2	122.8173	0.903	8	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH){3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	124.6040	0.000	1	124.6040	0.000	1	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HO)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HO){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	120.6310	1.830	2	120.6310	3.349	2	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	118.7370	0.000	1	118.7370	0.000	1	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	124.1725	0.941	2	123.5630	1.557	3	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	122.3440	0.000	1	123.5630	1.557	3	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	123.7295	0.630	2	123.7295	0.397	2	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	123.4555	0.612	2	123.4555	0.374	2	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<2>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	124.3360	2.558	2	123.7782	6.289	6	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	123.0085	1.808	2	123.7782	6.289	6	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	123.9900	4.442	2	123.7782	6.289	6	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	123.0315	3.632	2	123.0315	13.194	2	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	123.5534	0.878	10	123.0367	2.281	14	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,4|C<4>,4|H<1>}	119.9305	0.449	2	123.0367	2.281	14	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,2|C<4>,6|H<1>}	123.5595	0.070	2	123.0367	2.281	14	122.6254	4.018	49	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]CO)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]CO){3|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|O<1>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	119.6235	0.115	2	119.6235	0.013	2	119.0247	0.573	4	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]NW)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]NW){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|N<2>,1|W<6>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|W<6>,4|H<1>}	118.4260	0.520	2	118.4260	0.271	2	119.0247	0.573	4	122.6639	4.800	63	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CN)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CN)(H){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<2>,2|C<4>,4|H<1>}	123.4600	0.229	2	123.4600	0.052	2	123.4600	0.052	2	122.8154	8.059	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HO)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(OC[5])(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HO){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(OC[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	117.8560	0.000	1	117.8560	0.000	1	122.3857	15.400	3	122.8154	8.059	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]HH){1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	124.6505	0.149	2	124.6505	0.022	2	122.3857	15.400	3	122.8154	8.059	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:B-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,3|H<1>,4|C<4>}	117.5120	0.000	1	117.5120	0.000	1	117.5120	0.000	1	121.5527	12.281	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	123.5730	0.269	2	123.5730	0.072	2	123.5730	0.072	2	121.5527	12.281	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:3:2:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]CO)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]CO){3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	123.9400	0.000	1	123.9400	0.000	1	123.9400	0.000	1	123.9400	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-3:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)2{2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	122.7450	0.667	3	122.7450	0.445	3	122.7450	0.445	3	122.7450	0.445	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5a]HN)(H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5a]HN)(H){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(N[5]C[5]2){1|Cl<1>,1|N<2>,2|C<3>,3|C<4>,4|H<1>}	129.0310	0.000	1	129.0310	0.000	1	129.0310	0.000	1	129.0310	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	121.0570	0.000	1	121.0570	0.000	1	122.5108	4.356	11	122.5108	4.356	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	123.1420	0.510	4	123.1420	0.261	4	122.5108	4.356	11	122.5108	4.356	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]CH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]CH)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	124.5490	0.000	1	124.5490	0.000	1	122.5108	4.356	11	122.5108	4.356	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	124.2230	0.000	1	124.2230	0.000	1	122.5108	4.356	11	122.5108	4.356	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{1|N<3>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,4|H<1>,6|C<4>}	118.8295	1.272	2	118.8295	1.618	2	122.5108	4.356	11	122.5108	4.356	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,4|C<4>,4|H<1>}	123.7815	0.180	2	123.7815	0.033	2	122.5108	4.356	11	122.5108	4.356	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(CNO)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(CNO){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	122.3740	0.000	1	122.3740	0.000	1	122.3740	0.000	1	122.3740	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,3|H<1>,4|C<4>}	124.2070	0.000	1	124.2070	0.000	1	124.9310	0.395	3	124.9310	0.395	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HO)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HO){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	125.2930	0.057	2	125.2930	0.003	2	124.9310	0.395	3	124.9310	0.395	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	120.9900	0.000	1	120.9900	0.000	1	120.9900	0.000	1	120.9900	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]CO){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	123.2390	0.000	1	123.2390	0.000	1	123.2390	0.000	1	123.2390	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,7|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	124.0830	0.000	1	124.0830	0.000	1	124.3075	0.597	6	124.3075	0.597	6	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	124.3550	0.987	4	124.3550	0.975	4	124.3075	0.597	6	124.3075	0.597	6	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]N)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|N<3>,5|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	124.3420	0.000	1	124.3420	0.000	1	124.3075	0.597	6	124.3075	0.597	6	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:2:3:	4:3:3:1:	3:3:3:	C[5]-4:O[5]-2:C[6a]-3:	C[5,5,6]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5,6]C[6a]H)(O[5]C[5,5,6])(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5,6]C[6a]H)(O[5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.9230	0.000	1	117.9230	0.000	1	117.9230	0.000	1	117.9230	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,5|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pd)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5]){1|Pd<4>,1|C<4>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pd){1|C<4>,4|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	118.1860	0.000	1	118.1860	0.000	1	118.7970	2.352	3	118.7970	2.352	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pt)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5]){1|Pt<4>,1|C<4>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pt){1|C<4>,4|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	117.6630	0.000	1	119.1025	4.144	2	118.7970	2.352	3	118.7970	2.352	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pt)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5]){1|Pt<4>,1|N<3>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)2(N[5]C[5]Pt){1|N<3>,4|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	120.5420	0.000	1	119.1025	4.144	2	118.7970	2.352	3	118.7970	2.352	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:3:4:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)2(C[5]C[5]HH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,7|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)2(C[5]C[5]HH){4|H<1>,7|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	128.0130	0.000	1	128.0130	0.000	1	128.0130	0.000	1	124.4590	18.661	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:3:4:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[5]-3:C[6a]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CCHH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CCHH){2|H<1>,7|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	127.3735	0.491	2	127.3735	0.242	2	123.5705	19.618	4	124.4590	18.661	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:3:4:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[5]-3:C[6a]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CC[5]HH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CC[5]HH){2|H<1>,7|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.7675	0.873	2	119.7675	0.763	2	123.5705	19.618	4	124.4590	18.661	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:2:2:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:N[6a]-2:N[6a]-2:	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|H<1>,2|C<4>,4|C<3>}	123.7530	0.000	1	124.1995	0.822	4	124.1995	0.822	4	124.1995	0.822	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:2:2:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:N[6a]-2:N[6a]-2:	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<2>,3|C<3>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<4>,1|H<1>,5|C<3>}	124.6600	1.271	2	124.1995	0.822	4	124.1995	0.822	4	124.1995	0.822	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:2:2:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:N[6a]-2:N[6a]-2:	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[5](C[5]C[6a]C[5]H)(C[6a]N[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,2|N<2>,3|C<3>}	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	123.7250	0.000	1	124.1995	0.822	4	124.1995	0.822	4	124.1995	0.822	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	125.3390	0.000	1	125.8943	0.420	3	125.8943	0.420	3	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	126.6060	0.000	1	125.8943	0.420	3	125.8943	0.420	3	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,4|C<3>,4|H<1>}	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	125.7380	0.000	1	125.8943	0.420	3	125.8943	0.420	3	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]2)(N[5]C[6a]N[5])(C[5]C[5]HH)(H){7|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	125.6010	0.000	1	125.6010	0.000	1	125.6535	0.006	2	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,6|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	125.7060	0.000	1	125.7060	0.000	1	125.6535	0.006	2	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[5a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	124.2105	1.343	2	124.2105	1.803	2	124.2105	1.803	2	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	125.7870	0.000	1	125.7870	0.000	1	125.6024	0.991	34	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	126.3010	0.000	1	125.5968	1.020	33	125.6024	0.991	34	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	126.7340	0.000	1	125.5968	1.020	33	125.6024	0.991	34	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|C<3>,5|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	125.6080	0.000	1	125.5968	1.020	33	125.6024	0.991	34	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	125.8640	0.153	3	125.5968	1.020	33	125.6024	0.991	34	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	125.0560	0.000	1	125.5968	1.020	33	125.6024	0.991	34	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	125.5156	1.098	26	125.5968	1.020	33	125.6024	0.991	34	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.5880	0.000	1	117.5880	0.000	1	117.7177	0.014	3	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,4|C<3>,5|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.8150	0.000	1	117.8150	0.000	1	117.7177	0.014	3	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HS)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|S<4>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HS)(H){1|S<4>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.7500	0.000	1	117.7500	0.000	1	117.7177	0.014	3	125.0238	4.913	44	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:4:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]N[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]N[5]){4|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]HH)(CH3){2|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	128.6000	0.000	1	128.6000	0.000	1	128.6000	0.000	1	128.6000	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(H){1|N<2>,1|N<3>,6|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	126.2400	0.000	1	126.2400	0.000	1	126.2400	0.000	1	122.9610	21.504	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[5]-4:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|O<2>,4|H<1>,5|C<3>}	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	119.6820	0.000	1	119.6820	0.000	1	119.6820	0.000	1	122.9610	21.504	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	126.4290	0.000	1	126.4290	0.000	1	126.4290	0.000	1	118.6388	23.004	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5]){3|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	116.8670	0.000	1	116.8670	0.000	1	116.8670	0.000	1	118.6388	23.004	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	113.3870	0.000	1	113.3870	0.000	1	115.6225	9.995	2	118.6388	23.004	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.8580	0.000	1	117.8580	0.000	1	115.6225	9.995	2	118.6388	23.004	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.6530	0.000	1	118.6530	0.000	1	118.6530	0.000	1	118.6388	23.004	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:4:3:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:N[5]-3:C-4:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(CC[6a]HH)(COO)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]N[5])(CC[6a]HH)(COO){1|N<2>,2|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	129.4960	0.000	1	129.4960	0.000	1	129.4960	0.000	1	129.4960	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:4:4:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-3:C-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(CH3)2	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	119.6505	0.544	2	119.6505	0.296	2	119.6505	0.296	2	119.6505	0.296	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	119.9200	0.000	1	119.9200	0.000	1	119.9200	0.000	1	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,3|C<3>,4|H<1>}	119.7170	0.000	1	119.7170	0.000	1	121.5713	1.453	37	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2){1|Pd<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|C<3>,4|H<1>}	120.6730	1.067	8	120.6730	1.138	8	121.5713	1.453	37	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,4|H<1>,5|C<3>}	123.0143	0.719	6	123.0143	0.517	6	121.5713	1.453	37	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	121.2330	0.000	1	121.3020	0.809	5	121.5713	1.453	37	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	121.3193	1.038	4	121.3020	0.809	5	121.5713	1.453	37	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	120.5070	0.000	1	120.5600	0.006	2	121.5713	1.453	37	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	120.6130	0.000	1	120.5600	0.006	2	121.5713	1.453	37	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	121.3280	0.000	1	121.3280	0.000	1	121.5713	1.453	37	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	122.5140	0.000	1	122.5140	0.000	1	121.5713	1.453	37	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	122.4620	0.905	5	122.1422	1.269	6	121.5713	1.453	37	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	120.5430	0.000	1	122.1422	1.269	6	121.5713	1.453	37	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	121.5915	0.255	4	121.5180	0.741	7	121.5713	1.453	37	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	120.5660	0.000	1	121.5180	0.741	7	121.5713	1.453	37	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	121.8470	1.762	2	121.5180	0.741	7	121.5713	1.453	37	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5]ClH)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])2(Cl)(H)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]N[5]ClH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|F<1>,3|C<3>}	C[5](N[5]C[6a]C[5])2(Cl)(H){2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|F<1>}	121.2480	0.000	1	121.2480	0.000	1	121.2480	0.000	1	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:P[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|C<2>,1|H<1>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<2>,3|C<3>,4|H<1>}	120.0200	0.000	1	120.0200	0.000	1	118.9560	0.891	3	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:P[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]Cl)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]Cl)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|Cl<1>,1|H<1>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,3|C<3>,4|H<1>}	118.2190	0.000	1	118.2190	0.000	1	118.9560	0.891	3	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:1:1:	3:3:3:	C[5]-4:P[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|O<2>,3|C<3>,4|H<1>}	118.6290	0.000	1	118.6290	0.000	1	118.9560	0.891	3	121.3375	1.833	42	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C-2:F-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]CF)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(F)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CF)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(F){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<2>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	123.1470	0.000	1	123.1470	0.000	1	123.1470	0.000	1	120.8161	3.017	19	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<2>,1|O<1>,3|C<3>,3|H<1>}	123.5350	0.000	1	123.5350	0.000	1	123.5350	0.000	1	120.8161	3.017	19	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)(H){1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	123.2320	0.000	1	123.2320	0.000	1	122.0032	1.030	5	120.8161	3.017	19	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	120.9490	0.008	2	121.6960	0.744	4	122.0032	1.030	5	120.8161	3.017	19	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	122.4430	0.010	2	121.6960	0.744	4	122.0032	1.030	5	120.8161	3.017	19	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	121.5633	0.197	3	121.5633	0.039	3	119.9007	1.842	12	120.8161	3.017	19	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	119.7600	0.000	1	119.3464	1.140	9	119.9007	1.842	12	120.8161	3.017	19	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	119.6470	0.575	7	119.3464	1.140	9	119.9007	1.842	12	120.8161	3.017	19	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	116.8290	0.000	1	119.3464	1.140	9	119.9007	1.842	12	120.8161	3.017	19	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<3>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:B[5]-3:C[6a]-3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5a]C[6a]H)(B[5]N[5,5a]C[6a])(C[6a]C[6a]2)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,5a]C[6a]H)(B[5]N[5,5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|N<3>,3|H<1>,4|C<3>}	120.0700	0.000	1	120.0700	0.000	1	120.0700	0.000	1	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:B[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{3|H<1>,5|C<3>}	117.8527	1.389	3	117.8527	1.929	3	117.8527	1.929	3	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:B[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:N-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NCH)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NCH)(H){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{2|N<3>,3|C<3>,3|H<1>}	118.3490	0.000	1	118.3490	0.000	1	119.7063	1.443	3	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:B[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:N-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NC[6a]H)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NC[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{2|N<3>,3|C<3>,3|H<1>}	120.3850	0.349	2	120.3850	0.122	2	119.7063	1.443	3	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(C[6a]C[6a]2)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	122.4330	0.000	1	122.4330	0.000	1	122.4330	0.000	1	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5a]-3:N[5]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5a]HN)(C[5]N[5,5a]O)(C[6a]C[6a]2)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5a]HN)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(NC[6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	123.1830	0.000	1	123.1830	0.000	1	123.1830	0.000	1	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	121.7390	0.000	1	121.7390	0.000	1	121.7390	0.000	1	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	121.8760	0.000	1	121.8760	0.000	1	121.8760	0.000	1	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[5a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	120.8490	0.000	1	120.8490	0.000	1	120.8490	0.000	1	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	121.3550	0.000	1	122.0200	0.392	3	122.0200	0.392	3	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	122.5990	0.000	1	122.0200	0.392	3	122.0200	0.392	3	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	122.1060	0.000	1	122.0200	0.392	3	122.0200	0.392	3	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6]-3:S[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(S[5]C[5]Pd)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|Pd<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(S[5]C[5]Pd)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|S<3>,2|C<3>,3|H<1>}	119.6850	0.000	1	119.6850	0.000	1	119.6850	0.000	1	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	121.8025	0.462	2	121.8025	0.213	2	121.8025	0.213	2	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]N)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]N){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|F<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.0923	1.390	4	123.0028	1.231	6	123.0028	1.231	6	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]N)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]N){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	122.8240	0.509	2	123.0028	1.231	6	123.0028	1.231	6	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:S[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]O)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]O)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|S<3>,2|C<3>,3|H<1>}	120.3070	0.000	1	120.3070	0.000	1	120.3070	0.000	1	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	123.6980	0.000	1	123.6980	0.000	1	123.6980	0.000	1	121.3153	3.721	26	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|Br<1>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	122.4710	0.000	1	122.2700	0.115	4	122.2700	0.115	4	122.2700	0.115	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	122.4235	0.028	2	122.2700	0.115	4	122.2700	0.115	4	122.2700	0.115	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.7620	0.000	1	122.2700	0.115	4	122.2700	0.115	4	122.2700	0.115	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]Cu)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]Cu)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{1|Cu<3>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<3>,2|H<1>,5|C<3>}	123.3670	0.000	1	123.3670	0.000	1	123.3670	0.000	1	125.1520	6.372	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	N[5,5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5,5]C[6a]2)(C[5]N[5,5]O)(C[6a]C[6a]2)	C[5](N[5,5]C[5,5]N[5,5])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]N[5,5]C[6a]2)(C[5]N[5,5]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[5](N[5,5]C[5,5]N[5,5])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{10|C<3>,1|O<1>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	126.9370	0.000	1	126.9370	0.000	1	126.9370	0.000	1	125.1520	6.372	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<3>,7|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CC[5]HH){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	123.6984	23.070	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]N[5]HH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]N[5]H){2|C<4>,2|H<1>,7|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]N[5]HH){5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	128.0070	0.173	2	128.0070	0.030	2	128.0070	0.030	2	123.6984	23.070	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]N[5]C){1|H<1>,1|N<2>,5|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CCHH){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	117.2750	0.000	1	117.2750	0.000	1	117.2750	0.000	1	123.6984	23.070	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5]-4:C[6a]-3:S[5]-3:	N[5]-3:C[6a]-3:C[5]-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(S[5]N[5]O)	C[5](N[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(S[5]N[5]O){1|O<2>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	124.9950	0.000	1	124.9950	0.000	1	124.9950	0.000	1	123.6984	23.070	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.0530	0.000	1	121.0530	0.000	1	122.2848	1.840	8	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|F<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,2|F<1>,3|C<3>}	123.4000	0.000	1	123.4000	0.000	1	122.2848	1.840	8	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.2580	0.000	1	120.2580	0.000	1	122.2848	1.840	8	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.9173	0.358	3	121.9173	0.128	3	122.2848	1.840	8	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	123.9075	0.292	2	123.9075	0.085	2	122.2848	1.840	8	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	119.9670	0.000	1	119.9670	0.000	1	119.9670	0.000	1	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,1|S<2>,3|C<3>,4|H<1>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.2530	0.000	1	121.2530	0.000	1	121.2530	0.000	1	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.2910	0.000	1	121.2910	0.000	1	121.2910	0.000	1	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	118.8130	0.000	1	118.8130	0.000	1	122.9371	2.860	18	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){2|O<2>,3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.3350	0.000	2	122.3350	0.000	2	122.9371	2.860	18	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	123.3720	0.000	1	122.9985	0.279	2	122.9371	2.860	18	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.6250	0.000	1	122.9985	0.279	2	122.9371	2.860	18	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,3|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.1850	0.000	1	123.1850	0.000	1	122.9371	2.860	18	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){4|C<4>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	124.8160	0.000	1	124.8160	0.000	1	122.9371	2.860	18	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	123.0750	0.000	1	123.0750	0.000	1	122.9371	2.860	18	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	124.2025	2.143	4	124.2025	4.592	4	122.9371	2.860	18	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[5]C[5]2){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	124.4080	0.000	1	124.4080	0.000	1	122.9371	2.860	18	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	122.1670	0.000	1	122.1670	0.000	1	122.9371	2.860	18	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	122.3480	0.931	2	122.3480	0.866	2	122.9371	2.860	18	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O){4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	122.8690	0.000	1	122.8690	0.000	1	122.9371	2.860	18	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]C)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]C){3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	121.3620	0.000	1	121.3620	0.000	1	122.9371	2.860	18	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	116.5520	3.284	2	116.5520	10.783	2	116.5520	10.783	2	122.1536	5.085	31	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	122.4650	0.000	1	122.4650	0.000	1	122.4650	0.000	1	122.7795	0.198	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]S[5]N)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]S[5]N){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	123.0940	0.000	1	123.0940	0.000	1	123.0940	0.000	1	122.7795	0.198	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CNO){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	123.3590	0.000	1	123.3590	0.000	1	123.0690	0.116	3	123.0690	0.116	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(COO){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	122.6940	0.000	1	122.6940	0.000	1	123.0690	0.116	3	123.0690	0.116	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]S)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(CCH)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]S){4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(CCH){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	123.1540	0.000	1	123.1540	0.000	1	123.0690	0.116	3	123.0690	0.116	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	N[5,5]-3:N[5]-3:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5,5]CC)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]N[5,5]CC)(C[5]C[5,5]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	123.7200	0.000	1	123.7200	0.000	1	123.7200	0.000	1	122.6580	2.256	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5a]-3:N[5]-3:C[5]-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,4|C<3>,5|H<1>}	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(CH3){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	121.5960	0.000	1	121.5960	0.000	1	121.5960	0.000	1	122.6580	2.256	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:B[5]-3:	N[5]-3:C[5]-4:Cl-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5]ClH)(C[6a]C[6a]2)(B[5]N[5]Cl)	C[5](N[5]C[6a]B[5])(C[5]N[5]ClH)(Cl)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5]ClH)(C[6a]C[6a]2)(B[5]N[5]Cl){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]ClH)(Cl)(H){1|Cl<1>,3|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.8880	0.126	2	121.8880	0.016	2	121.8880	0.016	2	121.8880	0.016	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.6640	0.000	1	120.6640	0.000	1	120.6640	0.000	1	120.6640	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]O)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]O)(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(OH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	122.9190	0.000	1	122.9190	0.000	1	122.9190	0.000	1	122.9190	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6a]C[6a]2){1|H<1>,3|C<3>,3|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	123.5320	0.000	1	123.5320	0.000	1	123.5320	0.000	1	121.4711	1.083	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.1300	0.000	1	121.3065	0.309	6	121.3244	0.260	7	121.4711	1.083	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.8560	0.000	1	121.3065	0.309	6	121.3244	0.260	7	121.4711	1.083	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.1073	0.723	3	121.3065	0.309	6	121.3244	0.260	7	121.4711	1.083	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.5310	0.000	1	121.3065	0.309	6	121.3244	0.260	7	121.4711	1.083	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(N[5]C[6a]C[5])(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.4320	0.000	1	121.4320	0.000	1	121.3244	0.260	7	121.4711	1.083	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[3,5]C[3,5]C[3]C[5])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C[5])(N[5]C[6a]C[5])(H)2{1|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	119.4520	0.000	1	119.4520	0.000	1	119.4520	0.000	1	121.4711	1.083	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.5730	0.000	1	121.5730	0.000	1	121.9635	0.305	2	121.4711	1.083	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]O){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	122.3540	0.000	1	122.3540	0.000	1	121.9635	0.305	2	121.4711	1.083	11	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OC)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OC)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	121.4335	0.499	2	121.4335	0.249	2	121.6328	0.266	6	121.5937	0.233	7	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	121.7160	0.000	1	121.7325	0.321	4	121.6328	0.266	6	121.5937	0.233	7	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5,6]-4:N[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(OH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	121.7380	0.694	3	121.7325	0.321	4	121.6328	0.266	6	121.5937	0.233	7	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6]-4:N[5]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[6a]C[5])(OH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(C[6a]C[6a]2){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	121.3590	0.000	1	121.3590	0.000	1	121.3590	0.000	1	121.5937	0.233	7	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[3x5,6]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[6a]C[5])(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[6a]C[5])(CNO)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	120.9025	1.764	2	120.9025	3.113	2	120.9025	3.113	2	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]H)(C[6a]C[6a]2)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]H)(C[6a]C[6a]2){1|H<1>,4|C<3>,4|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.5090	0.000	1	122.5090	0.000	1	122.5090	0.000	1	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	120.1360	0.000	1	120.1360	0.000	1	121.3710	5.619	3	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pd<4>,3|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.9885	2.992	2	121.9885	8.951	2	121.3710	5.619	3	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	N[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](N[5,5]C[5,5]C[5]Pd)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(C[6a]C[6a]2){1|Pd<4>,2|C<4>,3|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]C[5]Pd)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<4>,1|O<1>,2|C<3>,3|H<1>}	121.3730	1.259	2	121.3730	1.584	2	121.3730	1.584	2	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:B[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(B[5]N[5]Si)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(B[5]N[5]Si){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,7|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.2130	0.000	1	116.2130	0.000	1	116.2130	0.000	1	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5,6]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CNO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CNO)(H){1|H<1>,1|N<3>,2|O<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.4730	0.000	1	122.4730	0.000	1	122.4730	0.000	1	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	122.6700	0.236	2	122.6700	0.056	2	121.8543	3.206	17	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.5265	0.292	2	121.5265	0.085	2	121.8543	3.206	17	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	124.3405	1.811	2	124.3405	3.279	2	121.8543	3.206	17	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Pd){1|H<1>,2|C<4>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	121.2675	1.557	4	121.2675	2.424	4	121.8543	3.206	17	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	123.0585	0.783	2	123.0585	0.613	2	121.8543	3.206	17	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.5235	2.997	2	120.6524	3.645	5	121.8543	3.206	17	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.1160	0.919	2	120.6524	3.645	5	121.8543	3.206	17	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Rh<6>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.9830	0.000	1	120.6524	3.645	5	121.8543	3.206	17	121.5327	3.848	27	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	124.0180	0.000	1	124.0180	0.000	1	124.6545	0.810	2	124.6545	0.810	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	125.2910	0.000	1	125.2910	0.000	1	124.6545	0.810	2	124.6545	0.810	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,6|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(CNO){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	123.0490	0.000	1	123.0490	0.000	1	123.0490	0.000	1	123.0490	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(CCHH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]C[5])(CCHH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	123.1405	0.296	2	123.1405	0.088	2	123.1405	0.088	2	123.1405	0.088	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:4:3:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[3,3]-4:C[5]-4:N[5]-3:C[5]-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[3,3]C[5]2)(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[3,3]C[3,3]C[3]H[3])(C[5]C[5]O[5]H)(N[5]C[6a]C[5])(C[5]O[5]HH)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3,3]C[5]2)(C[6a]C[6a]2)(C[5]O[5]O){1|C<2>,1|C<4>,1|H<2>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[3,3]C[3,3]C[3]H[3])(C[5]C[5]O[5]H)(N[5]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	123.9970	0.000	1	123.9970	0.000	1	123.9970	0.000	1	123.9970	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:2:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:S[5]-2:C-3:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]CC)	C[5](N[5]C[6a]C[5])(S[5]C[5])(COO)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]CC){2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(S[5]C[5])(COO)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	123.2005	0.897	2	123.2005	0.805	2	123.2005	0.805	2	123.2005	0.805	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,6|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	121.1770	0.000	1	122.6497	1.013	4	122.6497	1.013	4	122.3622	1.173	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	123.1450	0.000	1	122.6497	1.013	4	122.6497	1.013	4	122.3622	1.173	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,7|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	123.1385	0.384	2	122.6497	1.013	4	122.6497	1.013	4	122.3622	1.173	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5](N[5]C[5,5]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH){1|N<2>,1|N<3>,4|H<1>,5|C<3>}	C[5](N[5]C[5,5]C[6a])(N[5]C[6a]C[5])(H)2{2|H<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	121.2120	0.000	1	121.2120	0.000	1	121.2120	0.000	1	122.3622	1.173	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:2:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,3|C<3>,4|H<1>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	122.1300	0.000	1	122.1300	0.000	1	122.1300	0.000	1	122.1300	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	122.8860	0.000	1	122.8860	0.000	1	122.8860	0.000	1	122.1015	1.231	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H){6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.3170	0.000	1	121.3170	0.000	1	121.3170	0.000	1	122.1015	1.231	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:C-3:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(COO)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(COO)2{5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	125.7010	0.000	1	125.7010	0.000	1	125.7010	0.000	1	125.7010	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:3:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:B[5a]-3:B[5a]-3:C[5]-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5a]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(B[5a]O[5a]2)2(C[5]C[5]CC)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5a]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>,4|O<2>}	C[5](N[5]C[6a]C[5])(B[5a]O[5a]2)2(C[5]C[5]CC){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|B<3>,2|H<1>,4|C<4>}	126.2140	0.000	1	126.2140	0.000	1	126.2140	0.000	1	126.2140	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	B[5,5a]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H)	C[6a](N[5]B[5,5a]C[5])(C[6a]C[6a]H)2	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H){2|O<2>,3|C<3>}	C[6a](N[5]B[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	120.2000	0.676	2	120.2000	0.457	2	120.2000	0.457	2	122.6077	7.016	15	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:B[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(B[5]B[5]C[5])(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,2|C<3>,2|H<1>,5|C<4>}	C[5](N[5]C[6a]C[5])(B[5]B[5]C[5])(C[5]C[5]CC)(H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,3|H<1>,4|C<4>}	124.4180	0.000	1	124.4180	0.000	1	121.3925	18.307	2	122.6077	7.016	15	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:B[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(B[5]B[5]O[5])(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|B<4>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(B[5]B[5]O[5])(C[5]C[5]CC)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,3|H<1>,4|C<4>}	118.3670	0.000	1	118.3670	0.000	1	121.3925	18.307	2	122.6077	7.016	15	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6]-3:N[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]CdC)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cd<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]CdC)(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	123.9340	0.000	1	123.9340	0.000	1	123.9340	0.000	1	122.6077	7.016	15	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|C<4>,5|C<3>,7|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	121.2940	0.000	1	121.2940	0.000	1	122.9080	2.648	4	122.6077	7.016	15	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|O<2>,4|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	121.7690	0.000	1	121.7690	0.000	1	122.9080	2.648	4	122.6077	7.016	15	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	123.9300	0.000	1	123.9300	0.000	1	122.9080	2.648	4	122.6077	7.016	15	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	124.6390	0.000	1	124.6390	0.000	1	122.9080	2.648	4	122.6077	7.016	15	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)	C[5](N[5]C[6a]C[5])2(C[5]N[5]2H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN){3|C<3>,3|N<3>,4|H<1>}	C[5](N[5]C[6a]C[5])2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,2|N<3>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	124.3787	2.543	4	124.3787	6.468	4	124.3787	6.468	4	122.6077	7.016	15	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]CC)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	118.2540	0.000	1	118.2540	0.000	1	121.4245	20.104	2	122.6077	7.016	15	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	124.5950	0.000	1	124.5950	0.000	1	121.4245	20.104	2	122.6077	7.016	15	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:2:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){5|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	122.6010	0.000	1	122.6010	0.000	1	122.6010	0.000	1	122.6010	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:4:	3:3:3:	Ga[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Ga[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)2	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]CC){3|C<3>,3|C<4>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)2{2|C<4>,3|C<3>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	118.4560	0.000	1	118.4560	0.000	1	118.4560	0.000	1	118.4560	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	B[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]N[5,6]ClH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]B[5])(C[5]N[5,6]HH)(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]N[5,6]ClH)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]B[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<4>,5|H<1>}	117.9730	0.000	1	117.9730	0.000	1	117.9730	0.000	1	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	123.6380	0.000	1	122.1901	1.121	7	122.2345	1.091	12	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	121.1540	0.000	1	122.1901	1.121	7	122.2345	1.091	12	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	122.1078	0.939	5	122.1901	1.121	7	122.2345	1.091	12	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<2>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(H)2{2|N<2>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	120.9390	0.000	1	120.9390	0.000	1	122.2345	1.091	12	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2{4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	123.4835	0.084	2	123.4835	0.007	2	122.2345	1.091	12	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,5]C[6a])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5](N[5]C[5,5]C[6a])(C[5]N[5]HH)(H)2{1|O<2>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.7885	0.227	2	121.7885	0.052	2	122.2345	1.091	12	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	121.4583	0.815	7	121.4583	0.664	7	121.4032	0.594	8	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6]C[6a])(C[5]C[5]HH)(H)2	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,8|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	121.0180	0.000	1	121.0180	0.000	1	121.4032	0.594	8	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	123.0245	0.848	2	123.0245	0.719	2	121.6573	3.541	10	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|Si<4>,1|H<1>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Si<4>,1|C<3>,2|C<4>,5|H<1>}	118.6340	0.000	1	118.6340	0.000	1	121.6573	3.541	10	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cd<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Cd<5>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	119.9430	0.000	1	119.9430	0.000	1	121.6573	3.541	10	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){5|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	119.2860	0.000	1	119.2860	0.000	1	121.6573	3.541	10	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	120.8630	0.000	1	120.8630	0.000	1	121.6573	3.541	10	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	122.7130	0.000	1	122.7130	0.000	1	121.6573	3.541	10	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	124.2440	0.000	1	124.2440	0.000	1	121.6573	3.541	10	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.1900	0.000	1	122.1900	0.000	1	121.6573	3.541	10	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	122.6510	0.000	1	122.6510	0.000	1	121.6573	3.541	10	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	Ga[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Ga[5]N[5,6]ClH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]N[5,6]ClH)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<4>,5|H<1>}	117.1900	0.000	1	117.1900	0.000	1	116.3445	1.430	2	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	Ga[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Ga[5]N[5,6]Ga[5]Cl)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]N[5,6]Ga[5]Cl)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,1|N<3>,1|N<4>,2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]Ga[5])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|Ga<4>,2|C<3>,2|C<4>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|Ga<4>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	115.4990	0.000	1	115.4990	0.000	1	116.3445	1.430	2	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[3,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]P[3,5]C[6a])(C[5]N[5]HH)(H)2	C[6a](N[5]P[3,5]C[5])(C[6a]C[6a]C)2	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]P[3,5]C[6a])(C[5]N[5]HH)(H)2{1|P<2>,4|C<3>}	C[6a](N[5]P[3,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<2>,2|C<3>,4|H<1>}	121.1710	1.228	2	121.1710	1.507	2	121.1710	1.507	2	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](P[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	119.7850	0.000	1	119.7850	0.000	1	119.7936	4.967	34	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[6a]N[5]Pd)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[6a]N[5]Pd)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pd<5>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Pd<5>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.8714	2.241	8	117.8714	5.023	8	119.7936	4.967	34	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[6a]O[5]S)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]O[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](P[5]C[6a]O[5]S)(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](N[5]C[6a]P[5])(C[5]O[5]HH)(H)2{1|S<1>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<1>,2|C<3>,4|H<1>}	122.0760	1.101	4	122.0760	1.212	4	119.7936	4.967	34	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5]ClNi)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]N[5]ClNi)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|Ni<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.4550	0.000	1	116.4550	0.000	1	119.7936	4.967	34	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5]ClNi)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]ClNi)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|Ni<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.8800	0.000	1	119.8800	0.000	1	119.7936	4.967	34	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5]ClO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]N[5]ClO)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|O<1>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	122.8430	0.460	2	122.8430	0.211	2	119.7936	4.967	34	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|Pt<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.8580	0.000	1	119.8580	0.000	1	119.7936	4.967	34	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5]CoO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]CoO)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<5>,1|O<1>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	119.6270	0.595	2	119.6270	0.354	2	119.7936	4.967	34	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{2|Ni<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{2|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.6020	0.641	2	118.6020	0.410	2	119.7936	4.967	34	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{2|Ni<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){2|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.6417	1.152	6	119.6417	1.328	6	119.7936	4.967	34	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5]NiF)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]N[5]NiF)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,1|F<1>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Ni<4>,1|C<3>,1|C<4>,1|F<1>,1|N<3>,4|H<1>}	120.1400	0.000	1	120.1400	0.000	1	119.7936	4.967	34	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5]NiF)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]NiF)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,1|F<1>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ni<4>,1|C<3>,1|C<4>,1|F<1>,1|N<3>,4|H<1>}	119.5820	0.000	1	119.5820	0.000	1	119.7936	4.967	34	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<3>,1|Pt<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pt<3>,1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.5037	2.736	4	121.5037	7.487	4	119.7936	4.967	34	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	Si[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Si[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](Si[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	117.3910	2.895	2	117.3910	8.380	2	118.1508	2.453	6	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	Si[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Si[5]Si[5,6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]H)2	N[5](Si[5]Si[5,6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|Si<5>,1|C<4>,3|C<3>}	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	119.0065	1.114	2	119.0065	1.240	2	118.1508	2.453	6	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	Si[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Si[5]Si[6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]H)2	N[5](Si[5]Si[6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]Si[5])(C[5]N[5]HH)(H)2{1|Si<4>,1|C<4>,3|C<3>}	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	118.0550	0.081	2	118.0550	0.006	2	118.1508	2.453	6	120.3934	5.057	75	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-2:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<2>,1|N<2>,3|C<3>,5|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,4|H<1>}	121.2330	0.000	1	121.2330	0.000	1	121.2330	0.000	1	121.2330	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)(H){2|N<2>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	121.1350	0.000	1	121.1350	0.000	1	121.1350	0.000	1	122.3241	3.183	8	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(COO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|O<2>,4|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(COO)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	122.3241	3.183	8	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN){3|C<3>,3|N<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]C[5])(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	124.2810	0.141	2	124.2810	0.020	2	122.7442	4.570	4	122.3241	3.183	8	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN){3|C<3>,3|N<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	121.2075	2.060	2	121.2075	4.243	2	122.7442	4.570	4	122.3241	3.183	8	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:Si-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiI)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiI)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<3>,1|C<3>,3|H<1>,4|C<4>}	123.1875	0.199	2	123.1875	0.039	2	123.1875	0.039	2	122.3241	3.183	8	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:3:2:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CO)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CO){5|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	123.0670	0.010	2	123.0670	0.000	2	123.0670	0.000	2	123.0670	0.000	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:B[5]-3:B[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[5]O[5]2)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>,4|O<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[5]O[5]2)2{2|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|B<3>,2|H<1>,4|C<4>}	127.2667	0.452	3	127.2667	0.204	3	127.2667	0.204	3	127.0425	0.337	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:B[6]-3:B[6]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[6]O[6]2)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>,4|O<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[6]O[6]2)2{2|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|B<3>,2|H<1>,4|C<4>}	126.3700	0.000	1	126.3700	0.000	1	126.3700	0.000	1	127.0425	0.337	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(CH3)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(CH3)(H){4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	123.7560	0.000	1	123.7560	0.000	1	123.7560	0.000	1	120.8890	4.544	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	119.3160	0.000	1	119.3160	0.000	1	119.3160	0.000	1	120.8890	4.544	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:Ga-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]Cl2)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]Cl2)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,3|H<1>,4|C<4>}	118.3160	0.000	1	118.3160	0.000	1	119.9945	5.635	2	120.8890	4.544	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:Ga-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,3|H<1>,4|C<4>}	121.6730	0.000	1	121.6730	0.000	1	119.9945	5.635	2	120.8890	4.544	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:Si-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(SiC3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Si<4>,1|C<3>,2|C<4>,5|H<1>}	121.3840	0.000	1	121.3840	0.000	1	121.3840	0.000	1	120.8890	4.544	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[4,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[4,5]B[4]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[4,5]C[6a])(C[5]C[5]HH)(CH3)2	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]C)2	N[5](C[4,5]B[4]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,1|N<2>,1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[4,5]C[6a])(C[5]C[5]HH)(CH3)2{1|B<3>,2|C<4>,3|C<3>}	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]C)2{1|B<3>,2|C<3>,2|H<1>,4|C<4>}	122.3250	0.000	1	122.3250	0.000	1	122.3250	0.000	1	121.9477	6.091	18	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CH3)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>,5|C<4>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<4>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	123.0300	0.000	1	123.0300	0.000	1	123.0300	0.000	1	121.9477	6.091	18	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>,4|O<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|B<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|B<3>,2|H<1>,4|C<4>}	119.4967	1.014	3	119.4967	1.028	3	121.8564	6.807	16	121.9477	6.091	18	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,2|C<3>,2|H<1>,5|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,3|H<1>,4|C<4>}	124.2610	0.000	1	124.7055	0.395	2	121.8564	6.807	16	121.9477	6.091	18	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|B<4>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,3|H<1>,4|C<4>}	125.1500	0.000	1	124.7055	0.395	2	121.8564	6.807	16	121.9477	6.091	18	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5a]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5a]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>,4|O<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|B<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|B<3>,2|H<1>,4|C<4>}	120.0640	0.000	1	120.0640	0.000	1	121.8564	6.807	16	121.9477	6.091	18	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>,4|O<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|B<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|B<3>,2|H<1>,4|C<4>}	120.8110	0.000	1	120.8110	0.000	1	121.8564	6.807	16	121.9477	6.091	18	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<3>,3|H<1>,4|C<4>}	118.2950	0.000	1	118.2950	0.000	1	121.8564	6.807	16	121.9477	6.091	18	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]AlH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]AlH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Al<3>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<3>,1|C<3>,3|H<1>,4|C<4>}	125.5760	2.895	2	125.5760	8.380	2	121.8564	6.807	16	121.9477	6.091	18	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,3|H<1>,4|C<4>}	120.9610	0.754	2	120.9610	0.568	2	121.8564	6.807	16	121.9477	6.091	18	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]NiC)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]NiC)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ni<5>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<5>,1|C<3>,2|H<1>,5|C<4>}	121.7240	0.000	1	121.7240	0.000	1	121.8564	6.807	16	121.9477	6.091	18	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<3>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<3>,1|C<3>,3|H<1>,4|C<4>}	121.3365	0.142	2	121.3365	0.020	2	121.8564	6.807	16	121.9477	6.091	18	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	125.1610	0.000	1	125.1610	0.000	1	121.8564	6.807	16	121.9477	6.091	18	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C[6a])(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|H<1>,7|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C[6a])(H)2{1|C<4>,7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	122.9710	4.245	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])(H)2	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])(H)2{1|S<4>,2|H<1>,5|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	120.7210	0.000	1	120.7210	0.000	1	120.7210	0.000	1	122.9710	4.245	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	124.7180	0.148	2	124.7180	0.022	2	124.7180	0.022	2	122.9710	4.245	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<3>,3|H<1>,4|C<4>}	118.2850	0.000	1	118.2850	0.000	1	118.2850	0.000	1	120.0055	1.757	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(COO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(COO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	121.4720	0.000	1	121.4720	0.000	1	121.4720	0.000	1	120.0055	1.757	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]CC)	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]CC){2|H<1>,6|C<3>}	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	120.1325	0.357	2	120.1325	0.128	2	120.1325	0.128	2	120.0055	1.757	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CO)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CO){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(COO){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	122.7635	0.697	2	122.7635	0.485	2	122.7635	0.485	2	122.7635	0.485	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|C<4>,5|C<3>,7|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	124.1270	0.000	1	124.1270	0.000	1	124.1270	0.000	1	124.1270	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	B[5]-4:C[5]-4:C[6a]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]N[5,6]HH)(C[5]C[5,6]HH)(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2	N[5](B[5]N[5,6]HH)(C[5]C[5,6]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2{3|H<1>,4|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,6|H<1>}	120.2370	0.000	1	120.2370	0.000	1	120.2085	0.002	2	121.4488	5.329	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	B[5]-4:C[5]-4:C[6a]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](B[5]N[5,6]HO)(C[5]C[5,6]HH)(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2	N[5](B[5]N[5,6]HO)(C[5]C[5,6]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]B[5])(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	120.1800	0.000	1	120.1800	0.000	1	120.2085	0.002	2	121.4488	5.329	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,3|C<3>,5|H<1>}	119.4650	0.000	1	119.4650	0.000	1	121.3960	13.809	3	121.4488	5.329	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){3|C<3>,6|H<1>}	119.0430	0.000	1	119.0430	0.000	1	121.3960	13.809	3	121.4488	5.329	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){3|C<3>,6|H<1>}	125.6800	0.000	1	125.6800	0.000	1	121.3960	13.809	3	121.4488	5.329	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<2>,3|C<3>,5|H<1>}	122.0550	0.000	1	122.1467	0.273	3	122.4232	0.310	5	121.4488	5.329	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,4|C<3>,4|H<1>}	122.1925	0.730	2	122.1467	0.273	3	122.4232	0.310	5	121.4488	5.329	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){3|C<3>,6|H<1>}	122.8380	0.349	2	122.8380	0.122	2	122.4232	0.310	5	121.4488	5.329	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[3,5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2)	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	123.4490	0.000	1	123.4490	0.000	1	123.4490	0.000	1	121.4488	5.329	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	P[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]C[5,6a]Pd2)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[5,6a]Pd2)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{2|Pd<3>,1|H<1>,4|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{2|Pd<3>,3|C<3>,4|H<1>}	117.2150	0.000	1	117.2150	0.000	1	117.2150	0.000	1	121.4488	5.329	12	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:2:1:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,8|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	117.3120	0.000	1	117.3120	0.000	1	117.3120	0.000	1	120.4233	8.278	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:2:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<2>,3|C<3>,5|H<1>}	122.9880	0.000	1	122.9880	0.000	1	122.9880	0.000	1	120.4233	8.278	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:2:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.9700	0.000	1	120.9700	0.000	1	120.9700	0.000	1	120.4233	8.278	3	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H){1|H<1>,8|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	122.1740	0.000	1	122.1740	0.000	1	122.1740	0.000	1	122.1036	2.497	21	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,1|S<4>,3|H<1>,7|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	119.5170	0.000	1	119.5170	0.000	1	119.5170	0.000	1	122.1036	2.497	21	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:	N[5]-3:C[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	120.9380	0.000	1	120.9380	0.000	1	120.9380	0.000	1	122.1036	2.497	21	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,4|C<3>,4|H<1>}	122.4505	0.914	2	122.4505	0.836	2	122.4505	0.836	2	122.1036	2.497	21	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){4|H<1>,5|C<3>}	123.0660	0.000	1	123.0660	0.000	1	123.0660	0.000	1	122.1036	2.497	21	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.7430	0.000	1	116.7430	0.000	1	116.7430	0.000	1	122.1036	2.497	21	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,4|C<3>,4|H<1>}	122.5745	0.134	2	122.5745	0.018	2	122.8257	0.425	11	122.1036	2.497	21	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){4|H<1>,5|C<3>}	122.3040	0.000	1	122.7930	0.502	8	122.8257	0.425	11	122.1036	2.497	21	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){4|H<1>,5|C<3>}	123.2927	0.298	3	122.7930	0.502	8	122.8257	0.425	11	122.1036	2.497	21	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){4|H<1>,5|C<3>}	122.8157	0.769	3	122.7930	0.502	8	122.8257	0.425	11	122.1036	2.497	21	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){4|H<1>,5|C<3>}	121.7150	0.000	1	122.7930	0.502	8	122.8257	0.425	11	122.1036	2.497	21	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){4|H<1>,5|C<3>}	123.5900	0.000	1	123.5900	0.000	1	122.8257	0.425	11	122.1036	2.497	21	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5a]C[6a]N[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]C[6a]N[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|N<3>,3|H<1>,4|C<3>}	122.7620	0.000	1	122.7620	0.000	1	121.9177	0.535	3	122.1036	2.497	21	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,4|C<3>,4|H<1>}	121.4955	0.013	2	121.4955	0.000	2	121.9177	0.535	3	122.1036	2.497	21	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:3:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5a]-3:N[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5a]C[6a]N[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]C[6a]N[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|N<3>,3|H<1>,4|C<3>}	124.5470	0.000	1	124.5470	0.000	1	124.5470	0.000	1	124.5470	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,8|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	120.4193	2.255	4	120.4193	5.086	4	120.4193	5.086	4	122.1517	6.141	16	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,3|C<3>,5|H<1>}	120.7000	0.000	1	120.7000	0.000	1	120.7000	0.000	1	122.1517	6.141	16	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	123.3820	0.000	1	123.3820	0.000	1	122.9137	5.635	11	122.1517	6.141	16	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	126.3100	0.957	2	123.0950	14.236	4	122.9137	5.635	11	122.1517	6.141	16	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	119.8800	0.669	2	123.0950	14.236	4	122.9137	5.635	11	122.1517	6.141	16	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	124.0200	0.000	1	121.8015	9.843	2	122.9137	5.635	11	122.1517	6.141	16	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	119.5830	0.000	1	121.8015	9.843	2	122.9137	5.635	11	122.1517	6.141	16	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){6|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	123.1715	0.485	4	123.1715	0.236	4	122.9137	5.635	11	122.1517	6.141	16	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[4,5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]H)2	N[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	121.0920	0.000	1	121.0920	0.000	1	120.3350	1.146	2	120.8052	1.587	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[4,5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]H)2	N[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){5|H<1>,6|C<3>}	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	119.5780	0.000	1	119.5780	0.000	1	120.3350	1.146	2	120.8052	1.587	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	121.7470	0.000	1	121.7470	0.000	1	121.7470	0.000	1	120.8052	1.587	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	122.1960	0.000	1	122.1960	0.000	1	122.1960	0.000	1	120.8052	1.587	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:4:3:1:	3:3:3:	C[5]-4:Ga[5]-4:C[6a]-3:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Ga[5])(H)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Ga[5])(H){1|Ga<4>,1|H<1>,1|N<3>,2|I<1>,6|C<3>}	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|I<1>,3|H<1>}	119.4130	0.000	1	119.4130	0.000	1	119.4130	0.000	1	120.8052	1.587	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[3x5,6]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[3x5,6]HH)(C[6a]C[6a]2)	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(N[5]C[5,5]C[6a])(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[3x5,6]HH)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(N[5]C[5,5]C[6a])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	120.6410	0.000	1	120.6410	0.000	1	120.6410	0.000	1	122.8035	3.726	28	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:N[5]-3:F-1:F-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]FF)(C[6a]C[6a]2)	C[5](C[5,6]O[5,6]O[6]C)(N[5]C[5,6]C[6a])(F)2	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]FF)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6]O[5,6]O[6]C)(N[5]C[5,6]C[6a])(F)2{1|H<1>,4|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|F<1>,3|H<1>}	125.6400	0.000	1	125.6400	0.000	1	125.6400	0.000	1	122.8035	3.726	28	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2)	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	124.2720	0.000	1	124.2720	0.000	1	124.2720	0.000	1	122.8035	3.726	28	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	124.7390	0.000	1	124.7390	0.000	1	124.7390	0.000	1	122.8035	3.726	28	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]HH)2(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	122.6670	0.000	1	122.6670	0.000	1	122.8135	0.043	2	122.8035	3.726	28	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]HH)2(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]C[5])(H)2{1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	122.9600	0.000	1	122.9600	0.000	1	122.8135	0.043	2	122.8035	3.726	28	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6,6]HH)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]HH)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	122.4945	0.261	2	122.4945	0.068	2	122.4945	0.068	2	122.8035	3.726	28	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	122.0030	0.000	1	122.0030	0.000	1	123.4573	2.692	15	122.8035	3.726	28	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[5]C[5,6]HH)2(C[6a]C[6a]2){1|C<4>,1|F<1>,1|N<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	124.0054	1.937	7	124.0054	3.753	7	123.4573	2.692	15	122.8035	3.726	28	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[5]C[5,6]HH)2(C[6a]C[6a]2){1|C<4>,1|F<1>,1|N<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	123.1169	1.300	7	123.1169	1.690	7	123.4573	2.692	15	122.8035	3.726	28	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5]-4:P[5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5]HH)(P[5]N[5,5]CO)(C[6a]C[6a]2)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]HH)(P[5]N[5,5]CO)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	120.9790	0.000	1	120.9790	0.000	1	120.0355	1.780	2	122.8035	3.726	28	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5]-4:P[5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5]HH)(P[5]N[5,5]NN)(C[6a]C[6a]2)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]HH)(P[5]N[5,5]NN)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	119.0920	0.000	1	119.0920	0.000	1	120.0355	1.780	2	122.8035	3.726	28	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	P[5]-4:C[5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5,5]C[6a]B)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](P[5]N[5,5]C[6a]B)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|B<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.0400	0.000	1	120.0400	0.000	1	120.2197	0.226	3	122.8035	3.726	28	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	P[5]-4:C[5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5,5]C[6a]O)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](P[5]N[5,5]C[6a]O)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[6a]P[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	120.3095	0.636	2	120.3095	0.404	2	120.2197	0.226	3	122.8035	3.726	28	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	115.7710	0.000	1	115.7710	0.000	1	115.7710	0.000	1	119.3374	8.238	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:N[5]-3:C-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)	C[5](C[5,6]O[5,6]C[6a]O[6])(N[5]C[5,6]C[6a])(COO)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6]O[5,6]C[6a]O[6])(N[5]C[5,6]C[6a])(COO)(H){1|H<1>,6|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.1060	0.000	1	121.1060	0.000	1	121.1060	0.000	1	119.3374	8.238	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.6740	0.000	1	116.6740	0.000	1	116.6740	0.000	1	119.3374	8.238	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5,6]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(CNO)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	121.7420	0.000	1	121.7420	0.000	1	121.7420	0.000	1	119.3374	8.238	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6]-4:N[5]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(NC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(NC[6a]N)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	121.3940	0.000	1	121.3940	0.000	1	121.3940	0.000	1	119.3374	8.238	5	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:N[5]-3:C[6a]-3:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(COO)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]C[6a]C)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(COO){1|N<3>,5|H<1>,6|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	125.4140	0.000	1	125.4140	0.000	1	125.4140	0.000	1	125.4140	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	5:3:4:4:	3:3:3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[3,3,6]-5:N[5]-3:C[5]-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[3,3,6]C[5]C)(C[6a]C[6a]2)	C[5](C[3,3,6]O[3,3]O[3,6]O[3]O[6])(N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[3,3,6]C[5]C)(C[6a]C[6a]2){1|C<4>,2|O<2>,2|O<3>,4|C<3>,5|H<1>}	C[5](C[3,3,6]O[3,3]O[3,6]O[3]O[6])(N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<5>,2|C<3>,3|C<4>,3|H<1>}	121.1850	0.000	2	121.1850	0.000	2	121.1850	0.000	2	121.1850	0.000	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	4:5:3:	3:4:3:1:	3:3:3:	C[5]-4:Si[5]-5:C[6a]-3:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6]C[5]H)(Si[5]N[5,6]Cl3)(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Si[5])(H)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6]C[5]H)(Si[5]N[5,6]Cl3)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]C[6a]Si[5])(H){1|Si<5>,3|Cl<1>,1|H<1>,1|N<3>,6|C<3>}	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{3|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.7280	0.334	2	112.7280	0.111	2	112.7280	0.111	2	112.7280	0.111	2	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	5:4:3:	3:3:1:1:	3:3:3:	Si[5]-5:C[5]-4:C[6a]-3:	C[5,6]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Si[5]N[5,6]Cl3)(C[5]C[5,6]HH)(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]Si[5])(H)2	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](Si[5]N[5,6]Cl3)(C[5]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[6a]Si[5])(H)2{3|Cl<1>,1|H<1>,4|C<3>}	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{3|Cl<1>,1|N<3>,2|C<3>,4|H<1>}	111.8590	0.000	1	111.8590	0.000	1	111.8590	0.000	1	111.8590	0.000	1	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP2_SP2_SP3	N[5]	C[5]	C[6a]	6:3:4:	3:4:1:1:	3:3:3:	Si[5,6,6]-6:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]Si[5,6,6]C[6a])(C[5]N[5]HH)(H)2	C[6a](N[5]Si[5,6,6]C[5])(C[6a]C[6a]H)2	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|H<1>,7|C<3>}	C[5](N[5]Si[5,6,6]C[6a])(C[5]N[5]HH)(H)2{2|N<3>,2|O<2>,3|C<3>}	C[6a](N[5]Si[5,6,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,3|N<3>,4|H<1>}	115.2948	1.178	4	115.2948	1.387	4	115.2948	1.387	4	115.2948	1.387	4	121.0311	8.187	2000	121.1621	9.095	2293
542	474	643	0:SP3_SP2_SP3	N[5,5]	C[5,5,6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	N[5,5]-3:N[5,6]-3:C[5,6]-4:H-1:	N[5,5]-3:C[6a]-3:C[6a]-3:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[6a]C[6a]2)	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H)	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[6a]C[6a]2){2|N<3>,4|C<3>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	118.1795	1.921	4	118.1795	3.690	4	118.1795	3.690	4	118.1795	3.690	4	120.0723	3.271	15	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,5]	C[5,5,6]	C[6a]	4:4:3:	3:4:2:1:	3:3:3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	N[5,5]-3:C[5,6]-4:S[5,6]-2:H-1:	N[5,5]-3:C[6a]-3:C[6a]-3:	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2)	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H)	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2){2|C<3>,6|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H){2|C<3>,3|H<1>}	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|S<2>,4|H<1>}	120.3956	1.004	9	120.3956	1.007	9	120.3956	1.007	9	120.3956	1.007	9	120.0723	3.271	15	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,5]	C[5,5,6]	C[6a]	4:4:3:	4:3:4:3:	3:3:3:	C[5,5,6]-4:P[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:N[5,5]-3:C[5,6]-4:C[6a]-3:	N[5,5]-3:C[6a]-3:C[6a]-3:	N[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(P[5,5,6]C[5,5,6]C[5,6]W)(C[6a]C[6a]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5]P[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[6a](N[5,5]C[5,5,6]P[5,5,6])(C[6a]C[6a]H)2	N[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(P[5,5,6]C[5,5,6]C[5,6]W)(C[6a]C[6a]2){6|C<3>,8|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5]P[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[6a]C[6a]2){1|N<3>,1|O<1>,1|W<6>,5|C<3>,5|H<1>}	C[6a](N[5,5]C[5,5,6]P[5,5,6])(C[6a]C[6a]H)2{1|W<6>,2|C<3>,2|H<1>,4|C<4>}	122.4030	0.733	2	122.4030	0.537	2	122.4030	0.537	2	122.4030	0.537	2	120.0723	3.271	15	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5,5,6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	N[5,5]-3:N[5,6]-3:C[5,6]-4:H-1:	N[5,6]-3:C[6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H)	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2){2|N<3>,3|C<3>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	121.7390	2.211	4	121.7390	4.888	4	121.7390	4.888	4	121.7390	4.888	4	122.1116	4.360	5	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5,5,6]	C[6a]	4:4:3:	3:4:4:1:	3:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	N[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	N[5,6]-3:C[6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){1|F<1>,1|N<3>,2|C<3>,6|H<1>}	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	123.6020	0.000	1	123.6020	0.000	1	123.6020	0.000	1	123.6020	0.000	1	122.1116	4.360	5	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6a]-3:C[6a]-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H)	C[6a](N[5,6]C[5,6]2)(C[6a]C[6a]H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H){3|H<1>,6|C<3>}	C[6a](N[5,6]C[5,6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	118.2947	0.760	4	120.2284	5.549	9	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[6a]-3:C[6a]-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	C[6a](N[5,6]C[5,6]2)(C[6a]C[6a]H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|O<1>,4|H<1>,6|C<3>}	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	C[6a](N[5,6]C[5,6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	117.2840	0.000	1	117.2840	0.000	1	117.6595	0.282	2	118.2947	0.760	4	120.2284	5.549	9	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[6a]-3:C[6a]-3:	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	C[6a](N[5,6]C[5,6]2)(C[6a]C[6a]H)2	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|C<3>,2|N<3>,3|H<1>}	C[6a](N[5,6]C[5,6]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.0350	0.000	1	118.0350	0.000	1	117.6595	0.282	2	118.2947	0.760	4	120.2284	5.549	9	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[5,6]-4:C[6a]-3:	N[5,6]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6a]-3:C[6a]-3:	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	C[6a](N[5,6]C[5,6]2)(C[6a]C[6a]H)2	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](N[5,6]C[5,6]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.3680	0.000	1	119.3680	0.000	1	119.3680	0.000	1	118.2947	0.760	4	120.2284	5.549	9	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(H)2	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){1|F<1>,1|N<3>,2|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	118.5920	0.000	1	118.5920	0.000	1	118.5920	0.000	1	118.5920	0.000	1	120.2284	5.549	9	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:N[5,6]-3:N-3:H-1:	N[5,6]-3:C[6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(NC[6a]H)(H)	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2){2|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(NC[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	122.5712	0.918	4	122.5712	0.842	4	122.5712	0.842	4	122.5712	0.842	4	120.2284	5.549	9	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:2:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	N[5,6]-3:C[5]-4:O-2:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO){3|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	111.4190	0.000	1	111.4190	0.000	1	111.4190	0.000	1	111.4190	0.000	1	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:2:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	110.1380	0.000	1	110.1380	0.000	1	111.5986	1.713	7	111.5986	1.713	7	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:2:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	112.7655	1.650	2	112.7655	2.721	2	111.5986	1.713	7	111.5986	1.713	7	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:2:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	111.3803	0.914	4	111.3803	0.836	4	111.5986	1.713	7	111.5986	1.713	7	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:2:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	N[5,6]-3:C[5]-4:C-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	111.9560	0.000	1	111.9560	0.000	1	111.9560	0.000	1	111.9560	0.000	1	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6,6a]-3:N[6a]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[5]C[5]HH)	C[5](N[5,6]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(H)2	C[6,6a](N[5,6]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(N[6a]C[6a]C)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(H)2{1|N<3>,3|C<3>}	C[6,6a](N[5,6]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(N[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	128.9470	0.000	1	128.9470	0.000	1	128.9470	0.000	1	128.9470	0.000	1	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	109.6077	0.366	4	109.6077	0.134	4	110.1460	0.927	8	110.4288	1.155	20	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	111.4630	0.472	2	110.6842	1.256	4	110.1460	0.927	8	110.4288	1.155	20	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	109.9055	1.059	2	110.6842	1.256	4	110.1460	0.927	8	110.4288	1.155	20	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	110.9155	0.975	2	110.2670	1.737	3	110.2670	1.737	3	110.4288	1.155	20	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	108.9700	0.000	1	110.2670	1.737	3	110.2670	1.737	3	110.4288	1.155	20	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){2|C<4>,3|H<1>,4|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	109.1530	0.000	1	109.5613	0.135	3	110.7341	1.302	9	110.4288	1.155	20	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){2|C<4>,3|H<1>,4|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){2|C<3>,3|C<4>,4|H<1>}	109.7655	0.144	2	109.5613	0.135	3	110.7341	1.302	9	110.4288	1.155	20	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	111.3408	0.993	5	111.3205	0.792	6	110.7341	1.302	9	110.4288	1.155	20	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	111.2190	0.000	1	111.3205	0.792	6	110.7341	1.302	9	110.4288	1.155	20	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	111.6253	1.292	9	111.5255	1.385	11	111.5255	1.385	11	111.2005	1.301	15	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	111.0810	0.000	1	111.5255	1.385	11	111.5255	1.385	11	111.2005	1.301	15	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	111.0710	0.000	1	111.5255	1.385	11	111.5255	1.385	11	111.2005	1.301	15	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	110.2797	0.024	3	110.3070	0.003	4	110.3070	0.003	4	111.2005	1.301	15	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	N[5,6]-3:C[5]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[5](N[5,6]C[6,6a]O[5,6])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	110.3890	0.000	1	110.3070	0.003	4	110.3070	0.003	4	111.2005	1.301	15	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	123.0760	0.000	1	123.0760	0.000	1	123.0760	0.000	1	123.2342	0.852	6	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	122.7870	0.000	2	122.7870	0.000	2	123.2658	1.058	5	123.2342	0.852	6	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	123.1935	1.596	2	123.1935	2.547	2	123.2658	1.058	5	123.2342	0.852	6	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	124.3680	0.000	1	124.3680	0.000	1	123.2658	1.058	5	123.2342	0.852	6	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]O[6]H)(C[5]C[5]CH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]O[6]H)(C[5]C[5]CH){1|S<2>,2|H<1>,5|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	122.8330	0.000	1	122.8330	0.000	1	122.8330	0.000	1	123.4680	0.806	2	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5]){2|C<4>,4|H<1>,5|C<3>}	124.1030	0.000	1	124.1030	0.000	1	124.1030	0.000	1	123.4680	0.806	2	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	3:4:4:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C-4:C-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CF3)(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CF3)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	125.8320	0.000	2	125.8320	0.000	2	125.8320	0.000	2	125.8320	0.000	2	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]HH)	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]H)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(N[5,6]C[5,6,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(N[5,6]C[5,6,6]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	122.8460	0.000	1	122.8460	0.000	1	122.8460	0.000	1	122.8460	0.000	1	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6,6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH){3|H<1>,6|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]HH)(H)2{1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	123.0830	0.000	1	123.0830	0.000	1	123.0830	0.000	1	123.0830	0.000	1	113.9304	32.752	57	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|H<1>,6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	123.5420	0.000	1	123.5420	0.000	1	123.5420	0.000	1	123.7463	0.161	3	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]S)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|S<1>,3|H<1>,6|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]S){7|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.8485	0.510	2	123.8485	0.260	2	123.8485	0.260	2	123.7463	0.161	3	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:3:4:4:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	N[5]-3:N[5]-3:C[5]-4:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,5|C<3>,5|H<1>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.6670	3.144	2	122.6670	9.883	2	122.6670	9.883	2	122.6670	9.883	2	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	3:4:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[5,5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[5,5](N[5]C[6a]O[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5]C[6a]O[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.4020	0.000	1	122.4020	0.000	1	122.4020	0.000	1	122.4020	0.000	1	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]N[5]O)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]N[5]O){1|Br<1>,7|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	121.6350	0.000	1	121.6350	0.000	1	120.8750	1.155	2	121.9477	4.029	3	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5]-3:N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]O[5]O)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(N[5]C[6a]N[5])(C[5]O[5]O){1|Br<1>,6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	120.1150	0.000	1	120.1150	0.000	1	120.8750	1.155	2	121.9477	4.029	3	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]H)(C[5]O[5]O)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]H)(C[5]O[5]O){6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	124.0930	0.000	1	124.0930	0.000	1	124.0930	0.000	1	121.9477	4.029	3	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	4:3:4:3:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]O)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,5|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	126.0730	0.000	1	126.0730	0.000	1	126.0730	0.000	1	126.0730	0.000	1	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	4:3:4:4:	3:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5]-4:N[5]-3:C[5]-4:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)(C[5]N[5]HH)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,8|H<1>}	C[5,5](C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)(C[5]N[5]HH){1|C<4>,1|H<1>,5|C<3>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|C<4>}	120.8990	0.000	1	120.8990	0.000	1	120.8990	0.000	1	120.8990	0.000	1	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	4:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6])	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|N<3>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5,6]C[6]2O[5])(N[5]C[6a]O[5])(H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:2:	4:4:3:4:	3:3:3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5]-4:C[5]-4:N[5]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<2>,5|C<3>,7|H<1>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HH){1|H<1>,8|C<3>}	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|C<4>}	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]N[5]C)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]C)(C[5]N[5]C){1|C<4>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	120.8870	0.000	1	120.8870	0.000	1	120.8870	0.000	1	119.8130	2.307	2	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,5]-4:Ga[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H){1|Ga<3>,2|H<1>,5|C<3>}	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|Ga<3>,2|H<1>,5|C<3>}	118.7390	0.000	1	118.7390	0.000	1	118.7390	0.000	1	119.8130	2.307	2	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5]-4:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cl<1>,4|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC){1|C<2>,4|H<1>,6|C<3>}	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	120.6530	0.000	1	120.6530	0.000	1	120.6530	0.000	1	120.6530	0.000	1	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	117.1320	0.000	1	117.1320	0.000	1	117.1320	0.000	1	117.1320	0.000	1	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]C)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<3>,3|H<1>,8|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]C){7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	122.9960	0.000	1	122.9960	0.000	1	122.2955	0.981	2	122.2955	0.981	2	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]S[5]N)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,1|S<2>,3|H<1>,7|C<3>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]S[5]N){6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	121.5950	0.000	1	121.5950	0.000	1	122.2955	0.981	2	122.2955	0.981	2	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[5]-4:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]C){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	118.3765	3.378	2	118.3765	11.410	2	118.3765	11.410	2	118.3765	11.410	2	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:3:3:2:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.0290	0.000	1	121.0290	0.000	1	121.0290	0.000	1	121.0290	0.000	1	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]2H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]2H){1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	119.6200	0.000	1	119.6200	0.000	1	119.6200	0.000	1	119.6200	0.000	1	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[5,5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2H)(H){4|H<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	118.8125	6.516	2	118.8125	42.458	2	118.8125	42.458	2	118.8125	42.458	2	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H){2|O<2>,4|C<3>,5|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	121.5520	0.000	1	121.5520	0.000	1	121.5520	0.000	1	121.5520	0.000	1	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	P[5]-4:N[5,5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]N[5,5]P[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5,5]P[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H){4|C<3>,4|H<1>,6|C<4>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|P<4>,5|H<1>}	121.2820	0.000	1	121.2820	0.000	1	121.2820	0.000	1	121.2820	0.000	1	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:4:3:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.1290	0.423	2	117.1290	0.179	2	117.1290	0.179	2	117.1290	0.179	2	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:4:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5,5]HH)(C[5]N[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5,5]HH)(C[5]N[5]O){3|H<1>,7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	114.8615	1.262	2	114.8615	1.593	2	115.1503	1.047	3	115.1503	1.047	3	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,5]	C[6a]	4:4:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O){5|C<3>,5|H<1>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	115.7280	0.000	1	115.7280	0.000	1	115.1503	1.047	3	115.1503	1.047	3	120.2622	10.190	32	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir)	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5,6]C[5])	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir){3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|Ir<6>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5,6]C[5]){1|Ir<6>,1|N<3>,3|C<3>,4|C<4>,4|H<1>}	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:2:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:O[5]-2:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H)	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[6a]O[5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.7140	0.000	1	117.7140	0.000	1	117.7140	0.000	1	117.7140	0.000	1	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:2:	3:4:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6,6a]-3:C[5]-4:N[5]-3:C[6]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[5,6]O)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[5,6]O){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	125.4510	0.000	1	125.4510	0.000	1	125.4510	0.000	1	125.4510	0.000	1	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-3:C[6]-3:C[6]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]N[6]O)2	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]N[6]O)2{1|Br<1>,2|H<1>,5|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	122.6320	0.000	1	122.6320	0.000	1	122.6320	0.000	1	122.6320	0.000	1	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:2:	4:3:3:4:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:N[5]-3:C[6]-3:C[6]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6,6a]O)(C[6]C[6]HH){2|H<1>,7|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	126.9150	0.000	1	126.9150	0.000	1	126.9150	0.000	1	126.9150	0.000	1	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:2:	4:4:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-4:C[6]-4:N[5]-3:C[6]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(N[5]C[6a]N[5])(C[6]C[5,6]O)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(N[5]C[6a]N[5])(C[6]C[5,6]O){1|C<4>,1|N<3>,7|C<3>}	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	122.1510	0.000	1	122.1510	0.000	1	122.1510	0.000	1	122.1510	0.000	1	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	118.2445	0.981	2	118.2445	0.962	2	118.2445	0.962	2	118.2445	0.962	2	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	N[5]-3:C[6]-4:C[6]-3:O[5]-2:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5])	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<4>,5|C<3>}	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5]){1|N<3>,3|C<3>,4|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	119.7130	0.000	1	119.7130	0.000	1	119.7130	0.000	1	119.7130	0.000	1	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(COO)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	124.3070	0.000	1	124.3070	0.000	1	124.3070	0.000	1	124.3070	0.000	1	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(N[5]C[6a]C[5])(C[6]C[6]HH)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(N[5]C[6a]C[5])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	123.6950	0.000	1	123.6950	0.000	1	123.6950	0.000	1	121.2635	9.369	4	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6](C[5,6]C[6]O[5]C)(N[5]C[6a]C[5])(C[6]C[6]CH)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5]C)(N[5]C[6a]C[5])(C[6]C[6]CH)(H){1|H<1>,2|O<1>,3|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	124.0240	0.000	1	124.0240	0.000	1	124.0240	0.000	1	121.2635	9.369	4	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:P[5]-3:C[6a]-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H)	C[6a](N[5]C[5,6]P[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5])(C[6a]C[6a]2){1|Fe<10>,3|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(N[5]C[6a]P[5])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](N[5]C[5,6]P[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	118.6675	1.047	2	118.6675	1.097	2	118.6675	1.097	2	121.2635	9.369	4	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	121.3130	0.000	2	121.3130	0.000	2	121.3130	0.000	2	121.3130	0.000	2	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<2>,1|N<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,4|H<1>}	122.0150	0.000	1	122.0150	0.000	1	122.0150	0.000	1	122.0335	0.001	2	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H){1|N<3>,5|C<3>,6|H<1>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	122.0520	0.000	1	122.0520	0.000	1	122.0520	0.000	1	122.0335	0.001	2	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5,6]	C[6a]	4:3:4:	4:3:3:4:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]N[5]HH){2|N<3>,5|C<3>,5|H<1>}	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|S<4>,4|H<1>,6|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	122.2050	0.000	1	122.2050	0.000	1	122.2050	0.000	1	122.2050	0.000	1	121.4251	7.645	19	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	B[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]CH)	C[5](B[5]C[6a]C[5])(N[5]C[6a]C[5])(CCH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]CH){1|H<1>,2|C<4>,5|C<3>}	C[5](B[5]C[6a]C[5])(N[5]C[6a]C[5])(CCH)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,3|H<1>,4|C<3>}	119.6840	0.000	1	119.6840	0.000	1	119.6840	0.000	1	119.6840	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[6a]-2:N[6a]-2:	N[5](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[5](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,4|H<1>}	120.7070	0.000	1	120.7070	0.000	1	120.0036	0.353	5	120.0036	0.353	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[6a]-2:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,4|H<1>}	119.0910	0.000	1	119.8277	0.265	4	120.0036	0.353	5	120.0036	0.353	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[6a]-2:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|S<2>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,4|H<1>}	120.1880	0.000	1	119.8277	0.265	4	120.0036	0.353	5	120.0036	0.353	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:2:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[6a]-2:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|S<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,4|H<1>}	120.0160	0.225	2	119.8277	0.265	4	120.0036	0.353	5	120.0036	0.353	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:N[6a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	118.3870	0.000	1	118.3870	0.000	1	118.3870	0.000	1	118.3870	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){4|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	121.0310	0.000	1	121.0310	0.000	1	121.0310	0.000	1	119.2702	6.219	15	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<3>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	120.0120	0.000	1	121.2353	1.127	3	120.2185	4.887	4	119.2702	6.219	15	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	121.8470	0.098	2	121.2353	1.127	3	120.2185	4.887	4	119.2702	6.219	15	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	117.1680	0.000	1	117.1680	0.000	1	120.2185	4.887	4	119.2702	6.219	15	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,2|P<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.4230	0.000	1	117.4230	0.000	1	119.5187	3.529	8	119.2702	6.219	15	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.2410	0.000	1	121.2410	0.000	1	119.5187	3.529	8	119.2702	6.219	15	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.2170	0.000	1	121.2170	0.000	1	119.5187	3.529	8	119.2702	6.219	15	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	115.9390	0.000	1	119.1542	4.637	4	119.5187	3.529	8	119.2702	6.219	15	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	120.0810	0.020	2	119.1542	4.637	4	119.5187	3.529	8	119.2702	6.219	15	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|Pd<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.5160	0.000	1	119.1542	4.637	4	119.5187	3.529	8	119.2702	6.219	15	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Ru<8>,1|F<1>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]F)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.6520	0.000	1	119.6520	0.000	1	119.5187	3.529	8	119.2702	6.219	15	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]HH){2|N<3>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	115.4990	3.475	2	115.4990	12.074	2	115.4990	12.074	2	119.2702	6.219	15	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pt<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(H)2{1|Pt<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.2360	0.000	1	120.2360	0.000	1	120.2360	0.000	1	120.2360	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:3:4:2:	2:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:O-2:	N[6a]-2:N[5]-3:C[6a]-3:	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]O)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH)	C[6a](N[6a]C[6a,6a])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]O)(N[5]C[5]){3|H<1>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(OH){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	123.1900	0.000	1	123.1900	0.000	1	123.1900	0.000	1	123.1900	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(H)2	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5]){3|C<3>,5|H<1>}	C[5](N[5]C[6a]O[5])(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	117.9980	0.000	1	117.9980	0.000	1	117.9980	0.000	1	117.9980	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:2:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:N[5]-3:N[6a]-2:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]){1|Br<1>,1|Cl<1>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H){1|Br<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	120.8730	0.000	1	120.8730	0.000	1	120.8730	0.000	1	120.8730	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(CCH)(H){3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	123.9340	0.000	1	123.9340	0.000	1	123.9340	0.000	1	118.5740	13.626	4	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,6])	C[5](N[5]C[6a]O[5])(C[5]C[5,6]HH)(CC[6a]O)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,6]){1|N<3>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[5]C[5,6]HH)(CC[6a]O)(H){1|N<3>,3|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.0730	0.000	1	118.0730	0.000	1	116.7873	1.287	3	118.5740	13.626	4	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(COO)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){4|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(COO)(H){1|H<1>,3|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	116.1445	0.306	2	116.1445	0.094	2	116.7873	1.287	3	118.5740	13.626	4	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:O[5]-2:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){4|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[5]C[5]CH)(CF3)(H){1|H<1>,3|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	118.7915	0.189	2	118.7915	0.036	2	118.7915	0.036	2	118.7915	0.036	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	4:3:3:4:	3:3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:N[5]-3:C-3:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CC[6a]O)(CCHH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(CC[6a]O)(CCHH){5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	123.2530	4.828	2	123.2530	23.311	2	123.2530	23.311	2	123.2530	23.311	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:2:	4:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])	C[5](C[5]C[5]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HN)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5]O[5]H)(N[5]C[6a]O[5])(C[5]C[5]HN)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	118.4360	0.000	1	118.4360	0.000	1	118.4360	0.000	1	118.4360	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:2:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]2)	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,6|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.6390	0.000	1	120.6390	0.000	1	120.6390	0.000	1	120.6390	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])2(COO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C){3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])2(COO)(H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.1820	0.000	1	121.1820	0.000	1	121.1820	0.000	1	121.1820	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:3:4:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(COO)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CCHH)(COO){5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.9160	0.000	1	116.9160	0.000	1	116.6600	0.516	4	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|Br<1>,3|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.0680	0.000	2	117.0680	0.000	2	116.6600	0.516	4	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:B[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O)	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]B[5])(C[5]N[5]HH)(H)2{1|O<2>,3|C<3>}	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	115.5880	0.000	1	115.5880	0.000	1	116.6600	0.516	4	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5]C[5]2)	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5]C[5]2){1|C<4>,1|N<2>,2|N<3>,4|C<3>,4|H<1>}	119.1920	0.000	1	119.1920	0.000	1	119.1920	0.000	1	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	124.4180	0.000	1	124.4180	0.000	1	124.4180	0.000	1	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|B<3>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.1560	1.506	4	116.1560	2.269	4	118.0746	9.548	13	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ir<5>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.6610	0.000	1	121.6610	0.000	1	118.0746	9.548	13	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<3>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.3530	0.000	1	118.0675	3.305	2	118.0746	9.548	13	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.7820	0.000	1	118.0675	3.305	2	118.0746	9.548	13	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|P<2>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|P<2>,4|H<1>}	118.7010	1.882	2	118.7010	3.543	2	118.0746	9.548	13	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|O<2>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,3|C<3>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	125.4830	0.000	1	125.4830	0.000	1	118.0746	9.548	13	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	114.2360	0.000	1	114.2360	0.000	1	118.0746	9.548	13	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|F<1>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Ru<5>,3|C<3>}	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.5580	0.000	1	116.5580	0.000	1	118.0746	9.548	13	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Se<2>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.8710	0.000	1	118.8710	0.000	1	118.0746	9.548	13	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	115.5720	0.000	1	115.5720	0.000	1	115.5720	0.000	1	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){3|C<3>,4|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.7420	0.000	1	120.7420	0.000	1	120.2731	1.870	8	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.4935	1.060	2	119.7442	0.466	4	120.2731	1.870	8	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Co<5>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.9950	0.156	2	119.7442	0.466	4	120.2731	1.870	8	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Ni<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.4510	0.000	1	122.4510	0.000	1	120.2731	1.870	8	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:P[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Pt<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.0075	2.338	2	120.0075	5.468	2	120.2731	1.870	8	118.6777	7.906	28	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6a]-3:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:N[5]-3:N[6a]-2:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(COO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	114.8160	0.000	1	114.8160	0.000	1	114.8160	0.000	1	114.8160	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]2)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]2){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	119.0330	0.000	1	119.0330	0.000	1	120.4225	2.227	10	120.4225	2.227	10	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,2|H<1>,4|C<4>}	119.6550	1.359	4	119.6550	1.847	4	120.4225	2.227	10	120.4225	2.227	10	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|P<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<4>,2|H<1>,4|C<4>}	122.9430	0.000	1	122.9430	0.000	1	120.4225	2.227	10	120.4225	2.227	10	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|C<3>,2|H<1>,4|C<4>}	120.9073	0.987	4	120.9073	0.975	4	120.4225	2.227	10	120.4225	2.227	10	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<5>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]Ir)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH){1|Ir<6>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Ir)(H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,6|H<1>}	119.0580	0.000	1	119.0580	0.000	1	119.0580	0.000	1	118.4470	0.747	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH){1|Ir<6>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(H)2{1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,6|H<1>}	117.8360	0.000	1	117.8360	0.000	1	117.8360	0.000	1	118.4470	0.747	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(COO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(COO)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,4|C<3>,4|H<1>}	122.5500	0.000	1	122.5500	0.000	1	122.5500	0.000	1	121.0564	1.398	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)	C[5](N[5]C[6a]C[5])2(COO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])2(COO)(H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,4|C<3>,4|H<1>}	120.9460	0.000	1	120.9460	0.000	1	120.2070	1.092	2	121.0564	1.398	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[6a]C[5])2(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH){3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]O)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	119.4680	0.000	1	119.4680	0.000	1	120.2070	1.092	2	121.0564	1.398	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:N[5]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HP)	C[5](N[5]C[6a]C[5])2(PHH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HP){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])2(PHH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|P<3>,5|H<1>}	121.1590	0.898	2	121.1590	0.806	2	121.1590	0.806	2	121.0564	1.398	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:N[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(COO)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(COO)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	124.4080	0.000	1	124.4080	0.000	1	124.4080	0.000	1	124.4080	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	121.9840	4.077	2	121.9840	16.623	2	121.9840	16.623	2	121.5042	9.881	4	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[5]-3:	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|C<4>,2|N<2>,5|H<1>}	121.0245	3.478	2	121.0245	12.098	2	121.0245	12.098	2	121.5042	9.881	4	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	115.3135	1.399	2	115.3135	1.958	2	115.3135	1.958	2	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	120.3010	0.000	1	119.8115	0.479	2	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,7|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	119.3220	0.000	1	119.8115	0.479	2	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	117.5780	0.000	1	117.5780	0.000	1	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	120.8370	0.000	1	120.8370	0.000	1	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.5130	0.000	1	120.5130	0.000	1	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH){3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.5610	0.000	1	120.5610	0.000	1	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HP)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HP){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|P<3>,5|H<1>}	119.4595	0.084	2	119.4595	0.007	2	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	120.8920	0.000	1	120.8920	0.000	1	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	117.1100	0.000	1	117.1100	0.000	1	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|H<1>,1|N<3>,2|C<3>,4|F<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2{2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	116.8705	0.985	2	116.8705	0.970	2	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|H<1>,1|N<3>,2|C<3>,4|F<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2{2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,4|C<4>,6|H<1>}	117.0880	1.242	2	117.0880	1.542	2	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Co<9>,1|N<2>,4|C<4>,6|H<1>}	120.9500	1.936	2	120.9500	3.748	2	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	118.6260	0.769	2	118.6260	0.592	2	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	122.0405	2.896	2	122.0405	8.385	2	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	121.8675	4.167	2	121.8675	17.364	2	119.5872	4.939	22	119.2310	6.050	24	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:2:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(ON)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(ON)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,3|H<1>,4|C<4>}	124.3690	0.000	1	124.3690	0.000	1	124.3690	0.000	1	120.8157	9.691	3	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(NC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(NC[6a]2)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	119.5090	0.000	1	119.5090	0.000	1	119.5090	0.000	1	120.8157	9.691	3	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:P-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HP)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HP){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<3>,3|H<1>,4|C<4>}	118.5690	0.000	1	118.5690	0.000	1	118.5690	0.000	1	120.8157	9.691	3	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:B-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]HH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,3|H<1>,4|C<4>}	123.2540	0.000	1	123.2540	0.000	1	123.2540	0.000	1	118.1757	14.068	9	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CH)2{3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	117.0180	2.424	2	117.0180	5.876	2	117.0180	5.876	2	118.1757	14.068	9	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]HH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,3|H<1>,5|C<4>}	124.1320	0.000	1	124.1320	0.000	1	117.7152	15.385	6	118.1757	14.068	9	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	119.7220	0.000	1	119.7220	0.000	1	117.7152	15.385	6	118.1757	14.068	9	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,4|C<4>,4|H<1>}	115.6093	2.159	4	115.6093	4.661	4	117.7152	15.385	6	118.1757	14.068	9	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,3|H<1>,4|C<4>}	119.0150	0.000	1	119.0150	0.000	1	120.1884	1.827	5	120.1884	1.827	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,3|H<1>,5|C<4>}	121.1630	0.000	1	119.9170	3.105	2	120.1884	1.827	5	120.1884	1.827	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,3|H<1>,4|C<4>}	118.6710	0.000	1	119.9170	3.105	2	120.1884	1.827	5	120.1884	1.827	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	120.2700	0.000	1	120.2700	0.000	1	120.1884	1.827	5	120.1884	1.827	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HP)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HP){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<3>,3|H<1>,4|C<4>}	121.8230	0.000	1	121.8230	0.000	1	120.1884	1.827	5	120.1884	1.827	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,7|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	120.0020	0.000	1	120.0020	0.000	1	121.7620	6.195	2	121.7620	6.195	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	123.5220	0.000	1	123.5220	0.000	1	121.7620	6.195	2	121.7620	6.195	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	114.2760	0.000	1	114.2760	0.000	1	114.2760	0.000	1	114.2760	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[6a]C[6a]2)2	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.8910	0.000	1	117.8910	0.000	1	117.8910	0.000	1	117.8910	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|S<2>,4|C<3>,4|H<1>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	120.2220	0.000	1	120.2220	0.000	1	120.2220	0.000	1	118.9102	17.006	20	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	123.3730	1.122	7	123.3730	1.259	7	123.3730	1.259	7	118.9102	17.006	20	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[5a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,4|C<3>,5|H<1>}	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	112.6150	0.000	1	112.6150	0.000	1	116.0805	24.019	2	118.9102	17.006	20	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[5a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HN)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,4|H<1>,5|C<3>}	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HN)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	119.5460	0.000	1	119.5460	0.000	1	116.0805	24.019	2	118.9102	17.006	20	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.0770	0.000	1	117.4025	3.586	4	116.2210	6.897	10	118.9102	17.006	20	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,6|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.3260	1.496	2	117.4025	3.586	4	116.2210	6.897	10	118.9102	17.006	20	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,6|C<3>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	114.8810	0.000	1	117.4025	3.586	4	116.2210	6.897	10	118.9102	17.006	20	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	114.1620	0.000	1	114.1620	0.000	1	116.2210	6.897	10	118.9102	17.006	20	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,4|C<3>,5|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	114.6940	0.000	1	117.5707	6.362	3	116.2210	6.897	10	118.9102	17.006	20	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){5|C<3>,5|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.6140	0.000	1	117.5707	6.362	3	116.2210	6.897	10	118.9102	17.006	20	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){5|C<3>,5|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	119.4040	0.000	1	117.5707	6.362	3	116.2210	6.897	10	118.9102	17.006	20	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HP)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|P<4>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]HP)(H){1|P<4>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	112.8630	0.867	2	112.8630	0.752	2	116.2210	6.897	10	118.9102	17.006	20	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:C[5]-4:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	120.7820	0.000	1	120.7820	0.000	1	120.7820	0.000	1	120.7820	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(H)2	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	118.9670	0.000	1	118.9670	0.000	1	118.9670	0.000	1	118.9670	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|Cl<1>,1|N<3>,3|H<1>,5|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.5630	0.000	1	121.5630	0.000	1	121.4525	0.024	2	118.7228	2.164	12	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5]){3|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.3420	0.000	1	121.3420	0.000	1	121.4525	0.024	2	118.7228	2.164	12	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[4,5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[4,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[4,5])	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[4,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[4,5]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	119.0890	0.000	1	119.0890	0.000	1	119.0890	0.000	1	118.7228	2.164	12	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:N[5]-3:C-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CCH)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5]){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.6960	0.503	2	118.6960	0.253	2	118.6960	0.253	2	118.7228	2.164	12	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:N[5]-3:C[5a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(C[5a]C[5a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,5]){4|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.5830	0.000	1	118.5830	0.000	1	118.5830	0.000	1	118.7228	2.164	12	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){3|H<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	116.7380	0.000	1	116.7380	0.000	1	117.5035	1.172	2	118.7228	2.164	12	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5]2N[5])(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.2690	0.000	1	118.2690	0.000	1	117.5035	1.172	2	118.7228	2.164	12	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5,6]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.0630	0.000	1	117.0630	0.000	1	117.0630	0.000	1	118.7228	2.164	12	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|S<2>,3|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.5500	0.000	1	118.5500	0.000	1	118.2117	0.391	3	118.7228	2.164	12	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,6|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	118.5950	0.000	1	118.0425	0.611	2	118.2117	0.391	3	118.7228	2.164	12	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]O[5])(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	117.4900	0.000	1	118.0425	0.611	2	118.2117	0.391	3	118.7228	2.164	12	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:3:4:4:	3:3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5,6]-4:N[5]-3:C-4:C-4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(CH3)2	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]N[5])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	119.5985	0.238	2	119.5985	0.057	2	119.5985	0.057	2	119.5985	0.057	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:2:	4:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(N[5]C[6a]O[5])(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O[5]H)(N[5]C[6a]O[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	120.0100	0.000	1	120.0100	0.000	1	120.0100	0.000	1	120.0100	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.0670	0.000	1	119.0670	0.000	1	119.0670	0.000	1	119.0670	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:2:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	116.4580	0.000	1	116.4580	0.000	1	116.4580	0.000	1	116.4580	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	N[5]-3:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<3>,7|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CC[5]HH){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	122.1310	0.000	1	122.1310	0.000	1	122.1310	0.000	1	119.6515	12.296	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:N[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]N[5]C)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]N[5]C){1|H<1>,1|N<2>,5|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]2)(CCHH){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	117.1720	0.000	1	117.1720	0.000	1	117.1720	0.000	1	119.6515	12.296	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	N[5]-3:B[5]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]B[5]C[6]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(B[5]C[6]N[5])(C[6]C[6]2H)(H)	C[6a](C[6a]C[6a]2)2(N[5]C[5]2)	N[5](C[5]B[5]C[6]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,3|C<4>,6|C<3>}	C[5](N[5]C[6a]C[5])(B[5]C[6]N[5])(C[6]C[6]2H)(H){3|C<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[6a]2)2(N[5]C[5]2){1|B<3>,1|C<4>,1|N<2>,3|H<1>,6|C<3>}	123.7790	0.000	1	123.7790	0.000	1	123.7790	0.000	1	118.1472	13.418	8	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	120.6900	0.000	1	120.6900	0.000	1	121.1715	0.464	2	118.1472	13.418	8	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.6530	0.000	1	121.6530	0.000	1	121.1715	0.464	2	118.1472	13.418	8	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	115.8112	2.011	5	115.8112	4.042	5	115.8112	4.042	5	118.1472	13.418	8	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	3:3:4:2:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(OH){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.6470	0.000	1	121.6470	0.000	1	121.6470	0.000	1	121.6470	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pd<4>,3|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.0840	0.287	2	118.7477	0.381	3	118.7477	0.381	3	118.7477	0.381	3	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	118.0750	0.000	1	118.7477	0.381	3	118.7477	0.381	3	118.7477	0.381	3	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:2:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:S[5]-2:C-3:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]S[5]CC)	C[5](N[5]C[6a]C[5])(S[5]C[5,5])(COO)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]S[5]CC){2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(S[5]C[5,5])(COO)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	115.1220	0.000	1	115.1220	0.000	1	115.1220	0.000	1	115.1220	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5](N[5]C[5,5]C[6a])2(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](N[5]C[5,5]C[6a])2(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	119.1625	0.278	2	119.1625	0.077	2	119.1625	0.077	2	118.4236	4.299	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)	C[5](N[5]C[5,6]C[6a])2(H)2	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]N[5]HH){2|N<3>,5|C<3>,5|H<1>}	C[5](N[5]C[5,6]C[6a])2(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.7560	0.000	1	117.7560	0.000	1	119.2680	4.572	2	118.4236	4.299	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5](N[5]C[5,6]C[6a])2(H)2	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6]C[6a])2(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	120.7800	0.000	1	120.7800	0.000	1	119.2680	4.572	2	118.4236	4.299	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5](N[5]C[5,5]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH){2|H<1>,5|C<3>}	C[5](N[5]C[5,5]C[6a])(N[5]C[6a]C[5])(H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	118.4236	4.299	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.9580	0.000	1	121.9580	0.000	1	121.9580	0.000	1	121.9580	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:2:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,3|C<3>,4|H<1>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	123.0600	0.000	1	123.0600	0.000	1	123.0600	0.000	1	123.0600	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(COO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(COO)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){4|H<1>,5|C<3>}	119.6410	0.000	1	119.6410	0.000	1	119.6410	0.000	1	119.6084	1.178	8	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){4|H<1>,5|C<3>}	121.0560	0.000	1	121.0560	0.000	1	121.0560	0.000	1	119.6084	1.178	8	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){4|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	119.4720	0.000	1	119.4720	0.000	1	119.5782	1.094	5	119.6084	1.178	8	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.3480	0.000	2	119.0420	0.281	3	119.5782	1.094	5	119.6084	1.178	8	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){4|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.4300	0.000	1	119.0420	0.281	3	119.5782	1.094	5	119.6084	1.178	8	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.2930	0.000	1	121.2930	0.000	1	119.5782	1.094	5	119.6084	1.178	8	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H){6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.2790	0.000	1	118.2790	0.000	1	118.2790	0.000	1	119.6084	1.178	8	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(COO)(OSi)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(COO)(OSi){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	120.0360	0.000	1	120.0360	0.000	1	120.0360	0.000	1	119.7520	0.161	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:3:2:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,6|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Cl<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.4680	0.000	1	119.4680	0.000	1	119.4680	0.000	1	119.7520	0.161	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	117.5120	0.000	1	117.5120	0.000	1	117.5120	0.000	1	119.5298	5.789	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6]-3:N[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]ZnC)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|Zn<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]ZnC)(H){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	123.6560	0.000	1	123.6560	0.000	1	123.6560	0.000	1	119.5298	5.789	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|C<4>,5|C<3>,7|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	119.0400	0.000	1	119.0400	0.000	1	119.1325	0.017	2	119.5298	5.789	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.2250	0.000	1	119.2250	0.000	1	119.1325	0.017	2	119.5298	5.789	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5a]C[5a,6a]2)(N[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[5](N[5a]C[5a,6a]2)(N[5]C[6a]C[5])(C[5]C[5]CC)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	119.5298	5.789	5	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2{4|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.8470	0.000	1	120.8470	0.000	1	119.7153	5.470	3	119.1998	8.048	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,4|C<3>,5|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	121.2730	0.000	1	121.2730	0.000	1	119.7153	5.470	3	119.1998	8.048	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]N[5,5]P[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5,5]P[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|P<4>,5|H<1>}	117.0260	0.000	1	117.0260	0.000	1	119.7153	5.470	3	119.1998	8.048	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[3,5]HN)(H)2	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,1|F<1>,1|H<1>,1|N<4>,2|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[3,5]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]F)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	123.4700	0.000	1	123.4700	0.000	1	118.5194	12.423	7	119.1998	8.048	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	116.7730	0.000	1	116.7730	0.000	1	118.5194	12.423	7	119.1998	8.048	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|Zn<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	121.0320	0.000	1	121.0320	0.000	1	118.5194	12.423	7	119.1998	8.048	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Cl<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	113.2250	0.000	1	113.2250	0.000	1	118.5194	12.423	7	119.1998	8.048	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.1850	0.000	1	121.1850	0.000	1	118.5194	12.423	7	119.1998	8.048	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	116.3590	0.000	1	116.3590	0.000	1	118.5194	12.423	7	119.1998	8.048	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	117.5920	0.000	1	117.5920	0.000	1	118.5194	12.423	7	119.1998	8.048	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{1|Cl<1>,1|Pt<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.7380	0.000	1	118.7380	0.000	1	120.2717	1.811	3	119.1998	8.048	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{2|Ni<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){2|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.2560	0.000	1	121.2560	0.000	1	120.2717	1.811	3	119.1998	8.048	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	P[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]P[5])(C[5]N[5]HH)(H)2{2|Pt<4>,3|C<3>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){2|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.8210	0.000	1	120.8210	0.000	1	120.2717	1.811	3	119.1998	8.048	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-2:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<2>,1|N<2>,3|C<3>,5|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,4|H<1>}	121.3890	0.000	1	121.3890	0.000	1	121.3890	0.000	1	121.3890	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(CCH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,4|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(CCH)(H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	119.4350	0.000	1	119.4350	0.000	1	120.1857	2.710	4	120.6307	5.282	11	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(CF3)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(CF3)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.5450	0.000	2	121.5450	0.000	2	120.1857	2.710	4	120.6307	5.282	11	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CBrFF)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){4|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CBrFF)(H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.2180	0.000	1	118.2180	0.000	1	120.1857	2.710	4	120.6307	5.282	11	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:Ga-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,3|H<1>,4|C<4>}	121.9250	0.000	1	121.9250	0.000	1	122.2280	2.955	5	120.6307	5.282	11	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:Ga-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,3|H<1>,4|C<4>}	122.3038	1.975	4	122.3038	3.902	4	122.2280	2.955	5	120.6307	5.282	11	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:Si-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]Cl2)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]Cl2)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|C<3>,3|H<1>,4|C<4>}	117.3590	0.000	1	117.3590	0.000	1	117.5275	0.057	2	120.6307	5.282	11	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:Si-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2N)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2N)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|C<3>,3|H<1>,4|C<4>}	117.6960	0.000	1	117.6960	0.000	1	117.5275	0.057	2	120.6307	5.282	11	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3)(COO)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	121.0940	0.000	2	121.0940	0.000	2	121.0940	0.000	2	120.7500	0.355	3	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CF3)(COO)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){4|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CF3)(COO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	120.0620	0.000	1	120.0620	0.000	1	120.0620	0.000	1	120.7500	0.355	3	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,3|H<1>,4|C<4>}	124.3010	0.000	1	124.3010	0.000	1	120.8598	3.628	13	120.8598	3.628	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	121.8320	0.000	1	121.8320	0.000	1	120.8598	3.628	13	120.8598	3.628	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<3>,3|H<1>,4|C<4>}	117.5580	0.000	1	117.5580	0.000	1	120.8598	3.628	13	120.8598	3.628	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|C<3>,3|H<1>,4|C<4>}	119.2050	0.000	1	119.2050	0.000	1	120.8598	3.628	13	120.8598	3.628	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]AlH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]AlH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Al<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<4>,1|C<3>,3|H<1>,4|C<4>}	121.4840	0.000	1	121.4840	0.000	1	120.8598	3.628	13	120.8598	3.628	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,3|H<1>,4|C<4>}	120.0510	1.360	5	120.0510	1.851	5	120.8598	3.628	13	120.8598	3.628	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|C<3>,3|H<1>,4|C<4>}	121.8465	0.371	2	121.8465	0.138	2	120.8598	3.628	13	120.8598	3.628	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	122.8490	0.000	1	122.8490	0.000	1	120.8598	3.628	13	120.8598	3.628	13	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,1|F<1>,1|H<1>,1|N<4>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]C[5])(H)2{1|N<4>,2|C<3>,7|H<1>}	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]F)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	121.4520	0.000	1	121.4520	0.000	1	121.4520	0.000	1	119.4835	7.750	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[6a]C[5])(H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	117.5150	0.000	1	117.5150	0.000	1	117.5150	0.000	1	119.4835	7.750	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,5]C[6a])(C[5]C[5]N)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]2H){1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,5]C[6a])(C[5]C[5]N)(H){1|N<3>,1|O<1>,7|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	118.2690	0.000	1	118.2690	0.000	1	118.2690	0.000	1	118.0391	3.918	7	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	117.1130	0.000	1	117.1130	0.000	1	117.1130	0.000	1	118.0391	3.918	7	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]S[5]CC)	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]S[5]CC){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	115.4620	0.000	1	115.4620	0.000	1	115.4620	0.000	1	118.0391	3.918	7	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5]N[5])(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5]N[5])(H){1|C<2>,1|N<3>,3|C<3>,4|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,3|H<1>,4|C<4>}	117.2440	0.000	1	117.2440	0.000	1	117.2440	0.000	1	118.0391	3.918	7	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(NC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(NC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	116.9850	0.000	1	116.9850	0.000	1	116.9850	0.000	1	118.0391	3.918	7	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:P-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<3>,3|H<1>,4|C<4>}	119.8610	0.000	1	119.8610	0.000	1	119.8610	0.000	1	118.0391	3.918	7	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[5]O[5]H)(N[5]C[6a]C[5])(COO)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]O[5]H)(N[5]C[6a]C[5])(COO)(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.3400	0.000	1	121.3400	0.000	1	121.3400	0.000	1	118.0391	3.918	7	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiSi3)(H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiSi3)(H){2|C<3>,4|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|C<3>,3|H<1>,4|C<4>}	117.0820	0.000	1	117.0820	0.000	1	117.0820	0.000	1	119.8840	15.702	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:3:4:	4:3:4:1:	3:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|C<4>,5|C<3>,7|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	122.6860	0.000	1	122.6860	0.000	1	122.6860	0.000	1	119.8840	15.702	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,3|C<3>,5|H<1>}	121.6555	2.488	2	121.6555	6.192	2	121.6555	6.192	2	120.8443	5.070	3	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[3,5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2)	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	119.2220	0.000	1	119.2220	0.000	1	119.2220	0.000	1	120.8443	5.070	3	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(N[5]C[5]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2){2|S<2>,4|H<1>,5|C<3>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(N[5]C[5]H)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	121.6420	0.000	1	121.6420	0.000	1	121.6420	0.000	1	118.8655	7.360	4	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.2450	0.000	1	115.2450	0.000	1	117.6030	11.120	2	118.8655	7.360	4	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	119.9610	0.000	1	119.9610	0.000	1	117.6030	11.120	2	118.8655	7.360	4	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.6140	0.000	1	118.6140	0.000	1	118.6140	0.000	1	118.8655	7.360	4	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,8|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	118.1480	0.000	1	118.1480	0.000	1	117.7053	0.153	3	118.9573	5.797	9	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,8|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]CC)(H){3|H<1>,6|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.4840	0.109	2	117.4840	0.012	2	117.7053	0.153	3	118.9573	5.797	9	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2){2|S<2>,4|H<1>,5|C<3>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.8560	0.000	1	120.8560	0.000	1	120.8560	0.000	1	118.9573	5.797	9	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.4770	0.000	1	119.4770	0.000	1	117.4507	3.748	3	118.9573	5.797	9	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,2|C<2>,3|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	115.6200	0.000	1	116.4375	1.337	2	117.4507	3.748	3	118.9573	5.797	9	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,2|C<2>,3|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	117.2550	0.000	1	116.4375	1.337	2	117.4507	3.748	3	118.9573	5.797	9	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:S[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(CCHH)(H)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(CCHH)(H){1|H<1>,2|O<1>,4|C<3>}	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	122.1460	1.768	2	122.1460	3.125	2	122.1460	3.125	2	118.9573	5.797	9	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2)	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	119.3660	0.000	1	119.3660	0.000	1	118.0925	3.244	2	118.0925	3.244	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)	C[5](C[3,5]N[3,5]C[3]H)(N[5]C[6a]C[5])(H)2	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5](C[3,5]N[3,5]C[3]H)(N[5]C[6a]C[5])(H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	116.8190	0.000	1	116.8190	0.000	1	118.0925	3.244	2	118.0925	3.244	2	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	118.8980	0.102	2	118.8980	0.010	2	118.8980	0.010	2	118.1725	0.712	4	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	118.1725	0.712	4	119.4145	6.784	288	118.9049	14.375	425
542	474	643	0:SP3_SP2_SP3	N[5]	C[5]	C[6a]	4:4:3:	4:3:3:1:	3:3:3:	C[5]-4:Si[5]-4:C[6a]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5]C[6a]C[5]H)(Si[5]O[5]CC)(C[6a]C[6a]2)	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(Si[5]O[5]CC)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[6a]Si[5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	117.5510	0.000	1	117.5510	0.000	1	117.5510	0.000	1	118.1725	0.712	4	119.4145	6.784	288	118.9049	14.375	425
542	474	643	6:SP2_SP2_SP3	N[5,6,6]	C[5,5,6]	C[6,6,6a]	4:4:3:	4:3:4:3:	3:3:3:	C[5,5,6]-4:C[5,6]-4:C[6,6,6a]-3:	C[5,5,6]-4:N[5,6,6]-3:C[5,5]-4:C[5]-3:	N[5,6,6]-3:C[6,6a]-3:C[6,6a]-3:	N[5,6,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5]C[6]H)(C[6,6,6a]C[6,6a]2)	C[5,5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5,6,6]C[6,6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	C[6,6,6a](N[5,6,6]C[5,5,6]C[5,6])(C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]C[6])	N[5,6,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5]C[6]H)(C[6,6,6a]C[6,6a]2){1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5,6,6]C[6,6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,7|C<3>}	C[6,6,6a](N[5,6,6]C[5,5,6]C[5,6])(C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]C[6]){3|C<4>,4|C<3>,4|H<1>}	120.2960	0.000	1	120.2960	0.000	1	120.2960	0.000	1	120.2960	0.000	1	120.2960	0.000	1	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6,6]	C[5,6]	C[6,6,6a]	4:4:3:	3:3:3:1:	3:3:3:	C[5,6]-4:C[5,6]-4:C[6,6,6a]-3:	N[5,6,6]-3:C[6,6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[5,6,6]-3:	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2)	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[5,6,6]C[5,6]2)	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2){8|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[5,6,6]C[5,6]2){4|H<1>,7|C<3>}	111.8625	0.124	2	111.8625	0.015	2	111.8625	0.015	2	111.8625	0.015	2	114.1500	15.706	3	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6,6]	C[5,6]	C[6,6,6a]	4:4:3:	3:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6]-4:C[6,6,6a]-3:	N[5,6,6]-3:C[5,5]-4:C[6]-3:H-1:	N[5,6,6]-3:C[6,6a]-3:C[6,6a]-3:	N[5,6,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5]C[6]H)(C[6,6,6a]C[6,6a]2)	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	C[6,6,6a](N[5,6,6]C[5,5,6]C[5,6])(C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]C[6])	N[5,6,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5]C[6]H)(C[6,6,6a]C[6,6a]2){1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](N[5,6,6]C[5,5,6]C[5,6])(C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]C[6]){3|C<4>,4|C<3>,4|H<1>}	118.7250	0.000	1	118.7250	0.000	1	118.7250	0.000	1	118.7250	0.000	1	114.1500	15.706	3	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,4x6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]C)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]C){1|C<4>,1|O<2>,2|O<1>,3|C<3>,5|H<1>}	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	118.3660	0.000	1	118.3660	0.000	1	118.4148	0.440	6	118.4148	0.440	6	118.4224	0.489	8	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,4x6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,6|H<1>}	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	117.6920	0.000	1	118.4246	0.550	5	118.4148	0.440	6	118.4148	0.440	6	118.4224	0.489	8	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,4x6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,5|H<1>}	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	118.2600	0.000	1	118.4246	0.550	5	118.4148	0.440	6	118.4148	0.440	6	118.4224	0.489	8	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,4x6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	119.6770	0.000	1	118.4246	0.550	5	118.4148	0.440	6	118.4148	0.440	6	118.4224	0.489	8	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,4x6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	N[5,6,6]-3:C[3x6]-4:N[5,6]-3:C[6,6]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,4x6](N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	118.2470	0.057	2	118.4246	0.550	5	118.4148	0.440	6	118.4148	0.440	6	118.4224	0.489	8	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,4x6]	C[6,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	C[3,3x6]-4:N[5,6,6]-3:N[5,6]-3:C[6,6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,4x6]C[3,3x6]N[5,6,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(N[5,6]C[5,4x6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,4x6]C[3,3x6]N[5,6,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,4x6](C[3,3x6]C[3,6]C[6,6]O[3])(N[5,6,6]C[6,6]C[5])(N[5,6]C[6,6a]C[5])(C[6,6]C[6,6]H){1|C<4>,2|O<1>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(N[5,6]C[5,4x6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	119.2260	0.000	1	119.2260	0.000	1	119.2260	0.000	1	119.2260	0.000	1	118.4224	0.489	8	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,4x6]	C[6,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	C[5,6,6]-4:N[5,6,6]-3:C[3x6]-4:N[5,6]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,4x6]C[5,6,6]N[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,4x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5])	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,4x6]C[5,6,6]N[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[5,4x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[3x6]C[6,6]C[6]H)(N[5,6]C[6,6a]C[5]){1|Br<1>,1|C<4>,1|N<2>,2|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.6640	0.000	1	117.6640	0.000	1	117.6640	0.000	1	117.6640	0.000	1	118.4224	0.489	8	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:C[5]-4:	C[6a,6a]-3:N[5,6]-3:C[6,6a]-3:	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]O[6])	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5]O){1|N<2>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,6]N[5]O[6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]O[6]){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	114.8240	0.000	1	114.8240	0.000	1	114.8240	0.000	1	114.8240	0.000	1	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	120.5850	0.000	1	118.8497	0.505	9	118.8497	0.505	9	118.8497	0.505	9	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	118.8450	0.000	1	118.8497	0.505	9	118.8497	0.505	9	118.8497	0.505	9	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	118.4400	0.512	2	118.8497	0.505	9	118.8497	0.505	9	118.8497	0.505	9	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	118.8890	0.000	1	118.8497	0.505	9	118.8497	0.505	9	118.8497	0.505	9	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	118.9500	0.000	1	118.8497	0.505	9	118.8497	0.505	9	118.8497	0.505	9	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	118.6640	0.000	1	118.8497	0.505	9	118.8497	0.505	9	118.8497	0.505	9	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	118.4170	0.113	2	118.8497	0.505	9	118.8497	0.505	9	118.8497	0.505	9	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:N[5]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C)	C[6,6a](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	118.6080	0.000	1	118.6080	0.000	1	118.6080	0.000	1	118.6080	0.000	1	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[5,6]-4:C[5]-4:O[5]-2:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5])	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	120.6510	0.656	2	120.3430	0.500	3	120.3430	0.500	3	120.3430	0.500	3	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[5,6]-4:C[5]-4:O[5]-2:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5])	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	119.7270	0.000	1	120.3430	0.500	3	120.3430	0.500	3	120.3430	0.500	3	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<2>,3|H<1>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,3|H<1>}	114.9160	0.000	1	114.9160	0.000	1	114.9160	0.000	1	117.4120	4.956	3	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-4:N[5,6]-3:N[5,5]-3:H-1:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O)	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	118.6600	0.752	2	118.6600	0.566	2	118.6600	0.566	2	117.4120	4.956	3	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5,6a]O)	C[5,5,6](C[5,5,6]N[5,6,6]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]N[5]O)	C[6,6a](C[6,6,6a]N[5,6,6]C[6,6a])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,5,6](C[5,5,6]N[5,6,6]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]N[5]O){2|H<1>,2|O<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6,6a]N[5,6,6]C[6,6a])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	119.2760	0.000	1	119.2760	0.000	1	119.2760	0.000	1	119.2760	0.000	1	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:4:2:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-4:N[5,6]-3:C[5]-4:O[5]-2:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O)	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[5]C[5])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	118.7665	2.697	19	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[5,6]-4:C[6,6]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]N[6]H)(C[6,6]C[6]2)(H)	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]N[6]H)(C[6,6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	120.3792	2.835	4	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[5,6]-4:C[6,6]-4:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2O)(H)	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2O)(H){1|H<1>,3|C<3>,3|O<1>}	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	121.5330	0.000	1	121.5330	0.000	1	121.5330	0.000	1	121.5330	0.000	1	120.3792	2.835	4	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H)	C[6,6a](N[5,6]C[5,6,6]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H){2|H<1>,7|C<3>}	C[6,6a](N[5,6]C[5,6,6]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	117.9120	0.000	1	117.9120	0.000	1	117.9120	0.000	1	117.9120	0.000	1	120.3792	2.835	4	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6,6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)	C[5,6,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH){2|C<4>,3|C<3>,8|H<1>}	C[5,6,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|O<1>,6|C<4>}	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	120.3792	2.835	4	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:2:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5]C[5,5])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]O[5])(C[6]C[6]BrH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]O[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5]C[5,5]){1|Br<1>,1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]O[5])(C[6]C[6]BrH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]O[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	117.3820	0.000	1	117.3820	0.000	1	117.3820	0.000	1	117.3820	0.000	1	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:3:2:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[6a]C[5])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]O)(O[6]C[6])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]O)(O[6]C[6])(CCHH){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	116.5460	0.000	1	116.5460	0.000	1	116.5460	0.000	1	116.5460	0.000	1	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[6,6a,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	117.3000	0.000	1	117.3000	0.000	1	117.3000	0.000	1	117.8942	5.590	4	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	118.8890	0.000	1	118.8890	0.000	1	118.8890	0.000	1	117.8942	5.590	4	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5]C[6a]N[5])	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(N[5]N[5]S)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,1|S<4>,5|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(N[5]N[5]S)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	120.4640	0.000	1	120.4640	0.000	1	120.4640	0.000	1	117.8942	5.590	4	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,6a]-3:N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C){2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	114.9240	0.000	1	114.9240	0.000	1	114.9240	0.000	1	117.8942	5.590	4	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	119.4390	0.000	1	119.4390	0.000	1	119.4390	0.000	1	119.4010	0.717	3	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O)	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O){4|C<3>,5|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.2280	0.000	1	120.2280	0.000	1	119.3820	1.431	2	119.4010	0.717	3	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	118.5360	0.000	1	118.5360	0.000	1	119.3820	1.431	2	119.4010	0.717	3	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	N[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5a,6]C[5]C)(C[5]C[5]O)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5a,6]C[5]C)(C[5]C[5]O){4|C<3>,5|H<1>}	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	120.4100	0.000	1	120.4100	0.000	1	120.4100	0.000	1	120.4100	0.000	1	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	121.2215	0.264	2	121.2215	0.070	2	121.2215	0.070	2	119.7305	2.988	4	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C){4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	118.2395	0.049	2	118.2395	0.002	2	118.2395	0.002	2	119.7305	2.988	4	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]C[5]H)(C[6]C[6a]S[6]O)(H){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	123.0250	0.000	1	123.0250	0.000	1	118.3468	2.913	11	118.2813	2.699	12	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	119.4300	0.000	1	119.4300	0.000	1	118.3468	2.913	11	118.2813	2.699	12	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	117.7399	0.573	8	117.7067	0.298	9	118.3468	2.913	11	118.2813	2.699	12	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]O[5]CH)(C[6]O[6]HH)(H){1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	117.4410	0.000	1	117.7067	0.298	9	118.3468	2.913	11	118.2813	2.699	12	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|O<2>,3|C<3>,6|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]O[6]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	117.5610	0.000	1	117.5610	0.000	1	117.5610	0.000	1	118.2813	2.699	12	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]C[5,6]O){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,3|H<1>}	119.4740	0.000	1	119.4740	0.000	1	119.4740	0.000	1	119.4740	0.000	1	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	119.2810	0.996	2	119.2810	0.991	2	119.2810	0.991	2	119.2810	0.991	2	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	121.7790	0.902	2	121.7790	0.814	2	121.7790	0.814	2	121.6863	0.433	3	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:Si[6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Si[6]C[5]H)(C[5]C[5]CC)	C[5,6](N[5,6]C[6,6a]C[5])(Si[6]C[5]C[6])(C[5]C[5]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Si[6]C[5]H)(C[5]C[5]CC){2|H<1>,3|C<3>,4|C<4>}	C[5,6](N[5,6]C[6,6a]C[5])(Si[6]C[5]C[6])(C[5]C[5]CC)(H){1|N<3>,2|C<3>,2|H<1>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|Si<3>,1|C<3>,3|H<1>,6|C<4>}	121.5010	0.000	1	121.5010	0.000	1	121.5010	0.000	1	121.6863	0.433	3	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){4|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	120.7380	0.000	1	120.7380	0.000	1	120.7380	0.000	1	120.3155	0.357	2	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	C[6,6a,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]CH)	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6,6a]C)(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6,6a]C)(C[5]C[5]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	120.3155	0.357	2	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	121.0260	0.000	1	121.0260	0.000	1	121.0260	0.000	1	121.0260	0.000	1	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:Si[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]Si[6]H)(C[5]C[5]CC)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]2)(Si[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]Si[6]H)(C[5]C[5]CC){2|H<1>,3|C<3>,4|C<4>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]2)(Si[6]C[5]C[6])(H){1|N<3>,2|C<3>,6|H<1>,7|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|Si<3>,1|C<3>,3|H<1>,6|C<4>}	120.9800	0.000	1	120.9800	0.000	1	120.9800	0.000	1	120.8493	4.677	4	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[5]H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CC)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[5]H){4|H<1>,7|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CC)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	123.8490	0.000	1	123.8490	0.000	1	123.8490	0.000	1	120.8493	4.677	4	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[6a]C[5]H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[6a]C[5]H){1|N<3>,5|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	119.2840	0.341	2	119.2840	0.116	2	119.2840	0.116	2	120.8493	4.677	4	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]HH){3|C<3>,6|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	120.2740	0.146	2	120.2740	0.021	2	120.2740	0.021	2	120.2740	0.021	2	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	123.2760	0.000	1	121.8495	4.070	2	121.8495	4.070	2	122.3917	1.492	6	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	120.4230	0.000	1	121.8495	4.070	2	121.8495	4.070	2	122.3917	1.492	6	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){1|O<1>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	122.4560	0.000	1	122.2280	0.121	3	122.2280	0.121	3	122.3917	1.492	6	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	121.8270	0.000	1	122.2280	0.121	3	122.2280	0.121	3	122.3917	1.492	6	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){4|C<3>,8|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	122.4010	0.000	1	122.2280	0.121	3	122.2280	0.121	3	122.3917	1.492	6	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	123.9670	0.000	1	123.9670	0.000	1	123.9670	0.000	1	122.3917	1.492	6	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CC)(CHHO)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<2>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CC)(CHHO){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	123.2825	0.891	4	123.2825	0.794	4	123.2825	0.794	4	122.9834	1.043	5	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:C-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|H<1>,5|C<4>}	121.7870	0.000	1	121.7870	0.000	1	121.7870	0.000	1	122.9834	1.043	5	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH){3|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	125.3270	0.010	2	125.3270	0.000	2	125.3270	0.000	2	124.2040	3.783	3	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]N[5,6]HH)	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]N[5,6]HH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,7|H<1>}	121.9580	0.000	1	121.9580	0.000	1	121.9580	0.000	1	124.2040	3.783	3	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){2|O<1>,5|C<3>,5|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	121.2710	0.000	1	121.2710	0.000	1	121.2710	0.000	1	118.5805	10.507	12	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	118.2960	0.000	2	118.2960	0.000	2	118.3359	10.769	11	118.5805	10.507	12	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	117.4275	3.536	2	116.4648	8.491	6	118.3359	10.769	11	118.5805	10.507	12	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	115.9835	3.009	4	116.4648	8.491	6	118.3359	10.769	11	118.5805	10.507	12	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	122.2790	0.000	1	122.5905	0.194	2	118.3359	10.769	11	118.5805	10.507	12	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	122.9020	0.000	1	122.5905	0.194	2	118.3359	10.769	11	118.5805	10.507	12	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[6a]C[5]H){2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	121.1330	0.000	1	121.1330	0.000	1	118.3359	10.769	11	118.5805	10.507	12	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:N[6]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,6]C[6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){3|H<1>,8|C<3>}	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,6|C<3>}	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	117.1140	0.000	1	117.1140	0.000	1	117.1140	0.000	1	117.1140	0.000	1	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	118.0323	0.405	3	118.1680	0.183	4	118.1680	0.183	4	118.1680	0.183	4	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.5750	0.000	1	118.1680	0.183	4	118.1680	0.183	4	118.1680	0.183	4	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O){1|C<4>,4|H<1>,5|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<1>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.9790	0.000	1	120.9790	0.000	1	120.9790	0.000	1	120.9790	0.000	1	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>,3|N<3>}	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	120.9037	0.499	3	120.9037	0.249	3	120.9037	0.249	3	120.9037	0.249	3	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5,6]O)	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5,6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	117.3165	1.587	2	117.3165	2.520	2	117.3165	2.520	2	117.3165	2.520	2	119.7957	6.382	78	119.4006	6.233	113
542	474	643	6:SP3_SP2_SP3	N[5,6,6]	C[5,6]	C[6,6,6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5,6]-4:C[5,6]-4:C[6,6,6a]-3:	N[5,6,6]-3:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6,6a]-3:N[5,6,6]-3:	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2)	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[5,6,6]C[5,6]2)	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2){2|H<1>,8|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H){3|H<1>,8|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[5,6,6]C[5,6]2){2|C<4>,4|H<1>,5|C<3>}	113.8960	0.713	2	113.8960	0.508	2	113.8960	0.508	2	113.8960	0.508	2	113.8960	0.508	2	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:N[5]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C)	C[6,6a](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	119.4700	0.904	2	119.4700	0.817	2	119.4700	0.817	2	119.4700	0.817	2	118.2550	4.837	3	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,5,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){4|H<1>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,3|H<1>}	115.8250	0.000	1	115.8250	0.000	1	115.8250	0.000	1	115.8250	0.000	1	118.2550	4.837	3	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[5,6]-4:C[6,6]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2)(H)	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O){1|C<4>,1|H<1>,5|C<3>}	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2)(H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	117.3870	0.000	1	117.3870	0.000	1	117.3870	0.000	1	117.3870	0.000	1	117.0995	0.165	2	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,6,6]	C[6,6a]	4:3:4:	3:2:4:3:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:	N[5,6]-3:O[6,6]-2:C[5]-4:C[6]-3:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](N[5,6]C[6,6a]C[5])(O[6,6]C[3x6])(C[5]C[5]HH)(C[6]C[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(N[5,6]C[5,6,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	C[5,6,6](N[5,6]C[6,6a]C[5])(O[6,6]C[3x6])(C[5]C[5]HH)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(N[5,6]C[5,6,6]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	116.8120	0.000	1	116.8120	0.000	1	116.8120	0.000	1	116.8120	0.000	1	117.0995	0.165	2	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H){1|C<4>,5|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	119.0376	6.460	15	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:2:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	116.2390	0.000	1	116.2390	0.000	1	116.2390	0.000	1	116.2390	0.000	1	119.0376	6.460	15	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C){4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	113.4800	0.000	1	113.4800	0.000	1	113.4800	0.000	1	113.4800	0.000	1	119.0376	6.460	15	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(N[5]C[5,5]C)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(N[5]C[5,5]C){4|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	116.6890	0.000	1	116.6890	0.000	1	116.6890	0.000	1	116.6890	0.000	1	119.0376	6.460	15	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){4|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	118.2590	2.404	2	118.2590	5.780	2	118.2590	5.780	2	118.2590	5.780	2	119.0376	6.460	15	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	120.6660	0.000	1	120.6660	0.000	1	120.6660	0.000	1	120.6660	0.000	1	119.0376	6.460	15	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:O[6]-2:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]O[6]H)(C[5]C[5]CH)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(O[6]S[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]O[6]H)(C[5]C[5]CH){1|S<2>,2|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(O[6]S[6])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	118.4000	0.000	1	118.4000	0.000	1	118.4000	0.000	1	118.4000	0.000	1	119.0376	6.460	15	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5]){2|C<4>,4|H<1>,5|C<3>}	123.3750	0.000	1	123.3750	0.000	1	123.3750	0.000	1	123.3750	0.000	1	119.0376	6.460	15	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){2|O<1>,5|C<3>,5|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	120.7340	0.000	1	120.7340	0.000	1	120.7340	0.000	1	119.8928	0.227	5	119.0376	6.460	15	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	119.7590	0.000	2	119.7590	0.000	2	119.6825	0.008	4	119.8928	0.227	5	119.0376	6.460	15	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	119.6060	0.000	2	119.6060	0.000	2	119.6825	0.008	4	119.8928	0.227	5	119.0376	6.460	15	118.2873	7.173	22
542	474	643	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6,6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH){3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H){2|O<1>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	122.5170	0.000	1	122.5170	0.000	1	122.5170	0.000	1	122.5170	0.000	1	119.0376	6.460	15	118.2873	7.173	22